SCHEMBL4612927

SCHEMBL4612927

CCCCCCCCCCCCCC(O)(Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.45
GGPS1 O95749 5/20 0.45
SMPD1 P17405 2/20 0.44
CES2 O00748 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL27963402 1.00 FDPS (0.45) FDPSGGPS1SMPD1CES2ALDH1A1
SCHEMBL16755474 0.82 CES2 (0.47) FDPSGGPS1SMPD1CES2
SCHEMBL8466412 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR
SCHEMBL7619946 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR
SCHEMBL8464966 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR
SCHEMBL8422908 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR
SCHEMBL3284980 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR
SCHEMBL8772566 0.80 FDPS (0.50) FDPSGGPS1SMPD1CES2
SCHEMBL6002240 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR
SCHEMBL658156 0.80 SMPD1 (0.45) FDPSSMPD1CES2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773765-B1 METHOD FOR CATALYTIC HYDROGENATION PURIFICATION OF LACTAM CONTAINING CHOROLACTAM IMPURITIES ARKEMA FRANCE (FR) 2008-04-23 EP disclosed
EP-1773765-A2 METHOD FOR CATALYTIC HYDROGENATION PURIFICATION OF LACTAM CONTAINING CHOROLACTAM IMPURITIES Arkema France (FR) 2007-04-18 EP disclosed
WO-2006016060-A2 METHOD FOR CATALYTIC HYDROGENATION PURIFICATION OF LACTAM CONTAINING CHOROLACTAM IMPURITIES ARKEMA FRANCE (FR) 2006-02-16 WO disclosed