SCHEMBL8440707

SCHEMBL8440707

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCCCCCc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
TRPV1 Q8NER1 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX2 P34913 2/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
GHSR Q92847 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 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
SCHEMBL27515045 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL27493521 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL27515042 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL8442084 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL27495125 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL8772503 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL8438732 0.94 TRPV1 (0.48) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL8772522 0.93 TRPV1 (0.46) TRPV1KMT2AEPHX2LMNATSHR
SCHEMBL8772515 0.92 TRPV1 (0.53) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8522255 0.91 PLAAT3 (0.47) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4

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
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN 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
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed