SCHEMBL8438293

SCHEMBL8438293

O=C(CN1C(=O)CC1SCc1ccccc1)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.56
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL8439425 0.84 HTT (0.50) ALDH1A1NPC1RAB9A
SCHEMBL8442318 0.84 TRPV1 (0.49) P2RX7NPC1RAB9A
SCHEMBL8443457 0.80 P2RX7 (0.55) P2RX7EPHX2
SCHEMBL8438562 0.80 P2RX7 (0.57) P2RX7
SCHEMBL8441325 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8440368 0.78 PLAAT3 (0.47) ALDH1A1
SCHEMBL8438577 0.78 PLAAT3 (0.47) ALDH1A1
SCHEMBL8438842 0.78 PLAAT3 (0.47) ALDH1A1
SCHEMBL8439155 0.78 PLAAT3 (0.47) ALDH1A1
SCHEMBL27494723 0.77 MEN1 (0.41) ALDH1A1RAB9A

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