SCHEMBL8439464

SCHEMBL8439464

O=C(CN1C(=O)[C@H](CCO)[C@H]1SCc1ccccc1)NCCCCCCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ASAH1 Q13510 5/20 0.42
PLA2G7 Q13093 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LPL P06858 1/20 0.40
LIPC P11150 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 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
SCHEMBL8440268 0.86 KMT2A (0.44) KMT2AMEN1ASAH1PLA2G7TRPV1
SCHEMBL8440271 0.86 KMT2A (0.44) KMT2AMEN1ASAH1PLA2G7TRPV1
SCHEMBL8443368 0.85 PLA2G7 (0.39) KMT2AMEN1ASAH1PLA2G7TRPV1
SCHEMBL8439466 0.83 KMT2A (0.43) KMT2AMEN1ASAH1PLA2G7TRPV1
SCHEMBL8439400 0.81 KMT2A (0.44) KMT2AMEN1ASAH1TRPV1MAPT
SCHEMBL8441538 0.80 TRPV1 (0.49) KMT2AASAH1TRPV1LPLLIPC
SCHEMBL8772461 0.80 TRPV1 (0.49) KMT2AASAH1TRPV1LPLLIPC
SCHEMBL8776909 0.80 TRPV1 (0.49) KMT2AASAH1TRPV1LPLLIPC
SCHEMBL8443487 0.80 KMT2A (0.48) KMT2AMEN1ASAH1PLA2G7TRPV1
SCHEMBL8443370 0.77 PLA2G7 (0.39) KMT2AMEN1ASAH1PLA2G7TRPV1

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