SCHEMBL8439366

SCHEMBL8439366

COc1ccc(SC2CC(=O)N2CC(=O)NCCCCCCc2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 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

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
SCHEMBL8442245 0.88 LMNA (0.47) LMNATP53NPC1RAB9AKMT2A
SCHEMBL8438316 0.83 TRPV1 (0.46) LMNATP53MAPTALDH1A1PLAAT3
SCHEMBL8439717 0.82 ALOX5 (0.45) LMNATP53MAPTHCRTR1HCRTR2
SCHEMBL8102640 0.82 TRPV1 (0.51) LMNAPOLBKMT2AMEN1KDM4E
SCHEMBL8772555 0.80 TP53 (0.43) LMNATP53MAPTHCRTR1HCRTR2
SCHEMBL8443114 0.79 KMT2A (0.47) POLBKMT2AMEN1ALDH1A1
SCHEMBL8443344 0.79 LMNA (0.46) LMNATP53POLBNPC1RAB9A
SCHEMBL8440276 0.79 TRPV1 (0.50) LMNAKMT2AALDH1A1
SCHEMBL8440280 0.79 TRPV1 (0.50) LMNAKMT2AALDH1A1
SCHEMBL8441268 0.79 TRPV1 (0.50) 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
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