SCHEMBL8772457

SCHEMBL8772457

COc1cccc([S+]([O-])C2CC(=O)N2CC(=O)CCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
FFAR1 O14842 1/20 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
SCHEMBL8772456 0.89 NPC1 (0.44) RAB9AGAAALDH1A1ALOX5MAPT
SCHEMBL8443497 0.87 HMOX1 (0.40) GAAALDH1A1HTTNPC1SIGMAR1
SCHEMBL8442244 0.87 HMOX1 (0.40) GAAALDH1A1HTTNPC1SIGMAR1
SCHEMBL8772382 0.87 HMOX1 (0.40) GAAALDH1A1HTTNPC1SIGMAR1
SCHEMBL8443496 0.87 HMOX1 (0.40) GAAALDH1A1HTTNPC1SIGMAR1
SCHEMBL8772502 0.86 ALOX5 (0.42) RAB9AALDH1A1KMT2AALOX5TP53
SCHEMBL8772438 0.81 HCRTR1 (0.42) GAAALOX5LMNAHCRTR1HCRTR2
SCHEMBL8440303 0.80 TP53 (0.45) RAB9AGAAALDH1A1MEN1KMT2A
SCHEMBL8102560 0.79 HMOX1 (0.40) ALDH1A1ALOX5NPC1SIGMAR1POLB
SCHEMBL8440312 0.77 RAB9A (0.44) RAB9AGAAALDH1A1MEN1KMT2A

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
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
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed