SCHEMBL8440276

SCHEMBL8440276

O=C(CN1C(=O)C[C@H]1SCc1ccccc1)NCCCCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
GFER P55789 1/20 0.47
TSHR P16473 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 2/20 0.43
ASAH1 Q13510 2/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL8441268 1.00 TRPV1 (0.50) TRPV1LMNAGAAGFERTSHR
SCHEMBL27476952 1.00 TRPV1 (0.50) TRPV1LMNAGAAGFERTSHR
SCHEMBL27495124 1.00 TRPV1 (0.50) TRPV1LMNAGAAGFERTSHR
SCHEMBL8440280 1.00 TRPV1 (0.50) TRPV1LMNAGAAGFERTSHR
SCHEMBL8442701 0.99 TRPV1 (0.48) TRPV1LMNAGAAGFERTSHR
SCHEMBL8441910 0.95 TRPV1 (0.55) TRPV1LMNAGAAGFERTSHR
SCHEMBL8440452 0.94 HSP90AA1 (0.47) TRPV1LMNAGAAGFERTSHR
SCHEMBL8591482 0.94 TRPV1 (0.45) TRPV1LMNAGAAGFERTSHR
SCHEMBL8438842 0.94 PLAAT3 (0.47) TRPV1LMNAGAAGFERHPGD
SCHEMBL8440368 0.94 PLAAT3 (0.47) TRPV1LMNAGAAGFERHPGD

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
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