SCHEMBL8438972

SCHEMBL8438972

O=C(CCCCCCCc1ccccc1)CN1C(=O)CC1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NAAA Q02083 5/20 0.41
FAAH O00519 5/20 0.41
ALOX5 P09917 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CES1 P23141 3/20 0.39
PTGER4 P35408 1/20 0.38
ACHE P22303 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
EPHX1 P07099 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
SCHEMBL8441249 0.90 HMOX1 (0.41)
SCHEMBL8094797 0.87 MAPT (0.44) MAPTRXFP1NAAAFAAHALOX5
SCHEMBL8108442 0.87 MAPT (0.44) MAPTRXFP1NAAAFAAHALOX5
SCHEMBL8443629 0.87 HDAC1 (0.45) MAPTRXFP1NAAAFAAHALOX5
SCHEMBL8442864 0.84 MEN1 (0.41) MAPT
SCHEMBL8443320 0.83 ACE (0.42) MAPTRXFP1HDAC1HDAC2
SCHEMBL8440280 0.83 TRPV1 (0.50)
SCHEMBL8440276 0.83 TRPV1 (0.50)
SCHEMBL8441268 0.83 TRPV1 (0.50)
SCHEMBL27495124 0.83 TRPV1 (0.50)

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
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