SCHEMBL8440465

SCHEMBL8440465

O=C(CN1C(=O)CC1SCc1ccccc1)NCCCCCCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
ASAH1 Q13510 2/20 0.38
TSHR P16473 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
SCHEMBL8441325 0.94 ALDH1A1 (0.46) TRPV1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL8440368 0.91 PLAAT3 (0.47) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL8439155 0.91 PLAAT3 (0.47) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL8438577 0.91 PLAAT3 (0.47) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL8438842 0.91 PLAAT3 (0.47) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL8440276 0.91 TRPV1 (0.50) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL27495124 0.91 TRPV1 (0.50) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL8441268 0.91 TRPV1 (0.50) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL27476952 0.91 TRPV1 (0.50) TRPV1ALDH1A1LMNAL3MBTL1GAA
SCHEMBL8440280 0.91 TRPV1 (0.50) TRPV1ALDH1A1LMNAL3MBTL1GAA

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