SCHEMBL8107005

SCHEMBL8107005

CCCCCCCCCCCCCCCC(=O)OC(=O)CNC(CN)(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.39

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
FABP3 P05413 5/20 0.37
FAAH O00519 7/20 0.36
CES1 P23141 5/20 0.36
CES2 O00748 2/20 0.36
DGKA P23743 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4900922 1.00 FABP3 (0.37) FABP3FAAHCES1CES2DGKA
SCHEMBL8109080 1.00 FABP3 (0.37) FABP3FAAHCES1CES2DGKA
SCHEMBL8107139 1.00 FABP3 (0.37) FABP3FAAHCES1CES2DGKA
SCHEMBL3196755 0.87 PAM (0.45) FABP3DGKAMEN1CYP1A2KMT2A
SCHEMBL28422160 0.75 FABP3 (0.49) FABP3CES1CES2DGKA
SCHEMBL3470707 0.75 FABP3 (0.49) FABP3CES1CES2DGKA
SCHEMBL28422152 0.75 FABP3 (0.49) FABP3CES1CES2DGKA
SCHEMBL3469474 0.75 FABP3 (0.49) FABP3CES1CES2DGKA
Glycine SCHEMBL29130105 0.74 DGKA (0.47) FABP3CES1CES2DGKAMEN1
Propionic Acid SCHEMBL28401062 0.74 DGKA (0.47) FABP3CES1CES2DGKAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054450-A SOLUTION OF ZINC PYRITHIONE IN N-ACYLETHYLENEDIAMINETRIACETATE. PACIFIC CORPORATION (KR) 2000-04-25 US claimed