SCHEMBL8104210

SCHEMBL8104210

C[S+]([O-])C1CC(=O)N1CC(=O)CCCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NAAA Q02083 6/20 0.42
ALOX5 P09917 3/20 0.41
FAAH O00519 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CES1 P23141 3/20 0.39
KDM4A O75164 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL8104122 1.00 MAPT (0.43) MAPTRXFP1NAAAALOX5FAAH
SCHEMBL8102574 0.95 HDAC3 (0.40) NAAAALOX5FAAHHDAC1HDAC2
SCHEMBL8102560 0.91 HMOX1 (0.40) ALOX5
SCHEMBL8772384 0.88 MAPT (0.42) MAPTRXFP1NAAAALOX5FAAH
SCHEMBL8102633 0.84 TRPV1 (0.49)
SCHEMBL8109827 0.82 FAAH (0.43) FAAH
SCHEMBL8442702 0.81 HMOX1 (0.38) MAPTRXFP1NAAAALOX5HDAC1
SCHEMBL8108442 0.79 MAPT (0.44) MAPTRXFP1NAAAALOX5FAAH
SCHEMBL8094797 0.79 MAPT (0.44) MAPTRXFP1NAAAALOX5FAAH
SCHEMBL8110056 0.78 HPGD (0.41) MAPT

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
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed