SCHEMBL468220

SCHEMBL468220

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

nearest known ligand 0.64

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 13)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.54
HAO1 Q9UJM8 1/20 0.64
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
FABP3 P05413 5/20 0.52
GPR84 Q9NQS5 2/20 0.48
HSP90AA1 P07900 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL29399394 1.00 HAO1 (0.64) HAO1CES2CES1CA1MAPT
SCHEMBL22325607 1.00 HAO1 (0.64) HAO1CES2CES1CA1MAPT
SCHEMBL27594973 1.00 HAO1 (0.64) HAO1CES2CES1CA1MAPT
SCHEMBL6335818 1.00 HAO1 (0.64) HAO1CES2CES1CA1MAPT
SCHEMBL1304419 0.98 HAO1 (0.61) HAO1CES2CES1CA1MAPT
SCHEMBL8468809 0.96 HAO1 (0.64) HAO1CES2CES1MAPTKMT2A
SCHEMBL8167700 0.96 HAO1 (0.64) HAO1CES2CES1MAPTKMT2A
SCHEMBL1539039 0.96 HAO1 (0.70) HAO1CES2CES1MAPTKMT2A
SCHEMBL531015 0.96 HAO1 (0.64) HAO1CES2CES1MAPTKMT2A
SCHEMBL7519431 0.96 HAO1 (0.64) HAO1CES2CES1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389805-B1 Biological Control of Molluscs with nematodes BASF AGRICULTURAL SPECIALITIES LTD (GB) 2014-02-12 EP claimed
EP-2389805-A2 Biological control of molluscs with nematodes Becker Underwood Limited (GB) 2011-11-30 EP claimed
US-20110255444-A1 POWER SAVINGS THROUGH COOPERATIVE OPERATION OF MULTIRADIO DEVICES QUALCOMM INCORPORATED (US) 2011-10-20 US claimed
WO-2023100258-A1 MARINE BIODEGRADATION PROMOTER HAVING TWO OR MORE MONOVALENT ORGANIC ANIONS, AND MARINE BIODEGRADABLE COMPOSITION 日清紡ホールディングス株式会社 2023-06-08 WO disclosed
WO-2020162303-A1 HYDROPHOBIC ALGINIC ACID PARTICLE GROUP AND METHOD FOR PRODUCING SAME 日清紡ホールディングス株式会社 2020-08-13 WO disclosed
EP-2389805-B1 Biological Control of Molluscs with nematodes BASF AGRICULTURAL SPECIALITIES LTD (GB) 2014-02-12 EP disclosed
EP-2389805-A2 Biological control of molluscs with nematodes Becker Underwood Limited (GB) 2011-11-30 EP disclosed
US-20110255444-A1 POWER SAVINGS THROUGH COOPERATIVE OPERATION OF MULTIRADIO DEVICES QUALCOMM INCORPORATED (US) 2011-10-20 US disclosed
CN-1893911-B Formula including tetrapeptide and tripeptide mixture SEDERMA SA 2010-12-29 CN disclosed
CN-1893911-A Formula including tetrapeptide and tripeptide mixture SEDERMA SA (FR) 2007-01-10 CN disclosed