SCHEMBL8440452

SCHEMBL8440452

O=C(CN1C(=O)CC1SCc1ccccc1)NCCCCCCc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
TRPV1 Q8NER1 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.41
GHSR Q92847 2/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ASAH1 Q13510 1/20 0.40

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
SCHEMBL8440276 0.94 TRPV1 (0.50) TRPV1KMT2ALMNAGAAGFER
SCHEMBL27495124 0.94 TRPV1 (0.50) TRPV1KMT2ALMNAGAAGFER
SCHEMBL27476952 0.94 TRPV1 (0.50) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8440280 0.94 TRPV1 (0.50) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8441268 0.94 TRPV1 (0.50) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8442701 0.93 TRPV1 (0.48) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8441910 0.91 TRPV1 (0.55) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8440368 0.90 PLAAT3 (0.47) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8438842 0.90 PLAAT3 (0.47) TRPV1KMT2ALMNAGAAGFER
SCHEMBL8439155 0.90 PLAAT3 (0.47) TRPV1KMT2ALMNAGAAGFER

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