SCHEMBL8440370

SCHEMBL8440370

O=C(CN1C(=O)[C@H](Br)[C@H]1[S@@+]([O-])Cc1ccccc1)NCCCCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.47
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ASAH1 Q13510 2/20 0.41
GAA P10253 1/20 0.41
EPHX1 P07099 1/20 0.39
EPHX2 P34913 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27478651 1.00 TRPV1 (0.47) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8438807 1.00 TRPV1 (0.47) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL9059689 1.00 TRPV1 (0.47) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8439341 0.88 TRPV1 (0.47) TRPV1LMNATSHRHPGDALDH1A1
SCHEMBL8442227 0.83 KMT2A (0.43) TRPV1LMNAKMT2AL3MBTL1ASAH1
SCHEMBL8439721 0.83 KMT2A (0.43) TRPV1LMNAKMT2AL3MBTL1ASAH1
SCHEMBL8439723 0.83 KMT2A (0.43) TRPV1LMNAKMT2AL3MBTL1ASAH1
SCHEMBL8439402 0.81 KMT2A (0.43) TRPV1LMNAHPGDALDH1A1KMT2A
SCHEMBL8439400 0.81 KMT2A (0.44) TRPV1LMNAKMT2AASAH1
SCHEMBL8772503 0.80 TRPV1 (0.48) TRPV1LMNATSHRHPGDALDH1A1

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