SCHEMBL8440268

SCHEMBL8440268

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
PLA2G7 Q13093 1/20 0.44
ASAH1 Q13510 6/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LPL P06858 1/20 0.41
LIPC P11150 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 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
SCHEMBL8440271 1.00 KMT2A (0.44) KMT2ATRPV1PLA2G7ASAH1MAPT
SCHEMBL8439464 0.86 KMT2A (0.43) KMT2ATRPV1PLA2G7ASAH1MAPT
SCHEMBL8439466 0.85 KMT2A (0.43) KMT2ATRPV1PLA2G7ASAH1MAPT
SCHEMBL8441538 0.82 TRPV1 (0.49) KMT2ATRPV1ASAH1LPLLIPC
SCHEMBL8772461 0.82 TRPV1 (0.49) KMT2ATRPV1ASAH1LPLLIPC
SCHEMBL8776909 0.82 TRPV1 (0.49) KMT2ATRPV1ASAH1LPLLIPC
SCHEMBL8443487 0.82 KMT2A (0.48) KMT2ATRPV1PLA2G7ASAH1MAPT
SCHEMBL8439721 0.80 KMT2A (0.43) KMT2ATRPV1ASAH1MAPTRXFP1
SCHEMBL8442227 0.80 KMT2A (0.43) KMT2ATRPV1ASAH1MAPTRXFP1
SCHEMBL8439723 0.80 KMT2A (0.43) KMT2ATRPV1ASAH1MAPTRXFP1

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