SCHEMBL8772384

SCHEMBL8772384

O=C(CCCCCCCc1ccccc1)CN1C(=O)CC1[S+]([O-])Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NAAA Q02083 5/20 0.40
FAAH O00519 5/20 0.40
PTGER4 P35408 1/20 0.39
EPHX1 P07099 1/20 0.39
ALOX5 P09917 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CES1 P23141 3/20 0.38
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
EPHX2 P34913 2/20 0.37

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
SCHEMBL8772387 0.91 HMOX1 (0.40) EPHX2
SCHEMBL8104210 0.88 MAPT (0.43) MAPTRXFP1NAAAFAAHPTGER4
SCHEMBL8104122 0.88 MAPT (0.43) MAPTRXFP1NAAAFAAHPTGER4
SCHEMBL8440062 0.87 HDAC1 (0.43) MAPTRXFP1NAAAEPHX1ALOX5
SCHEMBL8772512 0.85 PLAAT3 (0.40)
SCHEMBL8442702 0.84 HMOX1 (0.38) MAPTRXFP1NAAAALOX5HDAC1
SCHEMBL8442084 0.84 TRPV1 (0.48) EPHX1EPHX2
SCHEMBL8438732 0.84 TRPV1 (0.48) EPHX1EPHX2
SCHEMBL27495125 0.84 TRPV1 (0.48) EPHX1EPHX2
SCHEMBL8772503 0.84 TRPV1 (0.48) EPHX1EPHX2

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-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed