SCHEMBL3199203

SCHEMBL3199203

CCCCCCOC(=O)CC(=O)[O-].[Na+]

nearest known ligand 0.62

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 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.62
FAAH O00519 2/20 0.61
EPHX1 P07099 1/20 0.53
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DGKA P23743 1/20 0.52
HTR2C P28335 1/20 0.50
ACHE P22303 6/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL28315660 1.00 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL28316453 1.00 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL28316427 1.00 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL10344143 1.00 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL29046183 1.00 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL3192696 0.98 NAAA (0.59) NAAAFAAHEPHX1RAD52NPSR1
Lithium Ion SCHEMBL3191064 0.96 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL3197891 0.96 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
Potassium Ion SCHEMBL3204212 0.96 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL3189447 0.96 NAAA (0.62) NAAAFAAHEPHX1RAD52NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172019-B Metal salts of malonic acid as nucleating additives for crystalline thermoplastics 印度石油有限公司 2022-03-04 CN disclosed
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN disclosed
US-7674330-B2 Ink and ink-jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2010-03-09 US disclosed
US-20080282930-A1 INK AND INK-JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed