SCHEMBL8439466

SCHEMBL8439466

C[C@@H](O)[C@H]1C(=O)N(CC(=O)NCCCCCCc2ccc(F)cc2)[C@@H]1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
ASAH1 Q13510 3/20 0.42
PLA2G7 Q13093 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LPL P06858 1/20 0.39
LIPC P11150 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL8443370 0.87 PLA2G7 (0.39) KMT2AALDH1A1HPGDASAH1PLA2G7
SCHEMBL8440271 0.85 KMT2A (0.44) KMT2AASAH1PLA2G7TRPV1MEN1
SCHEMBL8440268 0.85 KMT2A (0.44) KMT2AASAH1PLA2G7TRPV1MEN1
SCHEMBL8439464 0.83 KMT2A (0.43) KMT2AASAH1PLA2G7TRPV1MEN1
SCHEMBL8439402 0.82 KMT2A (0.43) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL8441538 0.81 TRPV1 (0.49) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL8776909 0.79 TRPV1 (0.49) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL8772461 0.79 TRPV1 (0.49) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL8443487 0.79 KMT2A (0.48) KMT2AALDH1A1ASAH1PLA2G7TRPV1
SCHEMBL8443368 0.78 PLA2G7 (0.39) KMT2AASAH1PLA2G7TRPV1MEN1

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