SCHEMBL8772555

SCHEMBL8772555

COc1ccc([S+]([O-])C2CC(=O)N2CC(=O)NCCCCCCc2ccccc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL27494325 0.89 LMNA (0.45) TP53LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL8772502 0.83 ALOX5 (0.42) TP53PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8102633 0.82 TRPV1 (0.49) LMNAPOLBKMT2AALDH1A1
SCHEMBL8772392 0.81 PLAAT3 (0.46) TP53LMNAMAPTPLAAT3PLAAT5
SCHEMBL27495131 0.80 KMT2A (0.45) POLBKMT2AALDH1A1MEN1
SCHEMBL8439366 0.80 LMNA (0.47) TP53LMNAMAPTPLAAT3PLAAT5
SCHEMBL8772447 0.79 LMNA (0.45) TP53LMNAPLAAT3PLAAT5PLAAT2
SCHEMBL8772503 0.79 TRPV1 (0.48) LMNAKMT2AALDH1A1
SCHEMBL8438732 0.79 TRPV1 (0.48) LMNAKMT2AALDH1A1
SCHEMBL8442084 0.79 TRPV1 (0.48) LMNAKMT2AALDH1A1

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
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN claimed
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
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed