SCHEMBL8440312

SCHEMBL8440312

COc1cccc(SC2CC(=O)N2CC(=O)CCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FFAR1 O14842 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8443492 0.89 NPC1 (0.47) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL8438341 0.86 HMOX1 (0.42) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL8442860 0.86 HMOX1 (0.42) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL8438346 0.86 HMOX1 (0.42) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL8439717 0.86 ALOX5 (0.45) RAB9AALDH1A1KMT2AALOX5NPC1
SCHEMBL8441617 0.80 TP53 (0.46) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL8442927 0.80 ALOX5 (0.44) ALOX5HCRTR1HCRTR2ALOX15
SCHEMBL8094868 0.79 HMOX1 (0.42) ALDH1A1ALOX5NPC1SIGMAR1
SCHEMBL8772457 0.77 RAB9A (0.42) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL8102631 0.77 APP (0.41) ALDH1A1ALOX5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed