SCHEMBL8439400

SCHEMBL8439400

O=C(CN1C(=O)[C@H](CCO)[C@H]1[S@+]([O-])Cc1ccccc1)NCCCCCCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ASAH1 Q13510 5/20 0.41
TRPV1 Q8NER1 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
CCR3 P51677 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL8439723 0.87 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8442227 0.87 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8439721 0.87 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8439402 0.84 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8439464 0.81 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8438807 0.81 TRPV1 (0.47) KMT2AASAH1TRPV1LMNA
SCHEMBL9059689 0.81 TRPV1 (0.47) KMT2AASAH1TRPV1LMNA
SCHEMBL27478651 0.81 TRPV1 (0.47) KMT2AASAH1TRPV1LMNA
SCHEMBL8440370 0.81 TRPV1 (0.47) KMT2AASAH1TRPV1LMNA
SCHEMBL8439341 0.81 TRPV1 (0.47) KMT2AASAH1TRPV1LMNA

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 6 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
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
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