SCHEMBL8439402

SCHEMBL8439402

C[C@@H](O)[C@H]1C(=O)N(CC(=O)NCCCCCCc2ccc(F)cc2)[C@@H]1[S+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
ASAH1 Q13510 5/20 0.41
TRPV1 Q8NER1 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 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 0.38
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
SCHEMBL8439721 0.87 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8442227 0.87 KMT2A (0.43) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8439400 0.84 KMT2A (0.44) KMT2AMEN1ASAH1TRPV1NPC1
SCHEMBL8439341 0.82 TRPV1 (0.47) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL8439466 0.82 KMT2A (0.43) KMT2AALDH1A1HPGDMEN1ASAH1
SCHEMBL8438807 0.81 TRPV1 (0.47) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL8440370 0.81 TRPV1 (0.47) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL27478651 0.81 TRPV1 (0.47) KMT2AALDH1A1HPGDASAH1TRPV1
SCHEMBL9059689 0.81 TRPV1 (0.47) KMT2AALDH1A1HPGDASAH1TRPV1

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