SCHEMBL596181

SCHEMBL596181

O=C1C=CC(C(=O)[O-])=CC1.[Na+]

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Potassium Ion SCHEMBL10908762 0.96 GSK3A (0.31) GSK3AGSK3B
Benzoic Acid SCHEMBL6660440 0.86 CA2 (0.55) KDM4EALDH1A1HPGD
SCHEMBL10870360 0.79 GSK3A (0.35) GSK3AGSK3B
SCHEMBL36449 0.77 GSK3A (0.33) GSK3AGSK3B
SCHEMBL3205528 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1682242 0.68 CA12 (0.43) KDM4EALDH1A1HPGD
SCHEMBL10705581 0.67
SCHEMBL47924 0.67 CA12 (0.42) KDM4EALDH1A1HPGD
Silver SCHEMBL38664429 0.64
Zinc Ion SCHEMBL10613130 0.62 CA2 (0.30)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212567-A Method for preparing cereal tempeh, cereal tempeh prepared by said method, sauce comprising prepared cereal tempeh, and preparation method thereof CJ第一制糖株式会社 2024-12-27 CN disclosed
CN-119156141-A Preparation method of tempeh, tempeh prepared from tempeh, sauce containing tempeh and preparation method of sauce CJ第一制糖株式会社 2024-12-17 CN disclosed
US-20160090600-A1 COMPOSITION FOR EXTERNAL APPLICATION COMPRISING TRANSCRIPTION FACTOR DECOY AS ACTIVE INGREDIENT ANGESMG, INC. (JP) 2016-03-31 US disclosed
EP-2266626-B1 COMPOSITION FOR EXTERNAL APPLICATION COMPRISING TRANSCRIPTION FACTOR DECOY AS ACTIVE INGREDIENT ANGESMG INC (JP) 2014-06-18 EP disclosed
US-8114906-B2 Essential fatty acids in the treatment and/or inhibition of depression in patients with coronary heart or artery disease ABBOTT PRODUCTS GMBH (DE) 2012-02-14 US disclosed
US-20110092438-A1 Composition for external application comprising transcription factor decoy as active ingredient ANGESMG, INC. 2011-04-21 US disclosed
EP-2266626-A1 COMPOSITION FOR EXTERNAL APPLICATION COMPRISING TRANSCRIPTION FACTOR DECOY AS ACTIVE INGREDIENT AnGes MG, Inc. (JP) 2010-12-29 EP disclosed
US-20090304607-A1 Antibacterial Flavor and Fragance Composition and Halitosis-Inhibition Flavor and Fragrance Composition and Oral Care Composition Containing the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-12-10 US disclosed
US-7619002-B2 Use of polyunsaturated fatty acids for the primary prevention of major cardiovascular events Pro Aparts Investimentos E Consultoria LDA. AV. Arriaga (PT) 2009-11-17 US disclosed
US-7553870-B2 Use of polyunsaturated fatty acid for the primary prevention of major cardiovascular events PRO APARTS INVESTIMENTOS E CONSULTORIA LDA (PT) 2009-06-30 US disclosed
EP-1152755-B1 ESSENTIAL FATTY ACIDS IN THE PREVENTION OF CARDIOVASCULAR EVENTS PHARMACIA & UPJOHN SPA (IT) 2002-04-17 EP disclosed
EP-1152755-A1 ESSENTIAL FATTY ACIDS IN THE PREVENTION OF CARDIOVASCULAR EVENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-11-14 EP disclosed
JP-2001157577-A METHOD FOR PRODUCING DRINKING WATER CONTAINING LOW NUTRITIONAL MICROORGANISM AND MEDIUM FOR DETECTING LOW NUTRITIONAL MICROORGANISM KANSAI SOGO KANKYO CENTER:KK 2001-06-12 JP disclosed
WO-2000048592-A1 ESSENTIAL FATTY ACIDS IN THE PREVENTION OF CARDIOVASCULAR EVENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-08-24 WO disclosed
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
EP-0455830-B1 MEDICINE CONTAINING THIAZINE DIOXIDE DERIVATIVE NIPPON HYPOX LAB INC (JP) 1996-06-26 EP disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
EP-0455830-A1 MEDICINE CONTAINING THIAZINE DIOXIDE DERIVATIVE NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1991-11-13 EP disclosed