SCHEMBL9767026

SCHEMBL9767026

CCCCCCCCCCCCOC1=CC(=O)NC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
GPR84 Q9NQS5 3/20 0.41
LMNA P02545 1/20 0.38
NAAA Q02083 2/20 0.37
NR5A1 Q13285 1/20 0.37
PLA2G2A P14555 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
PLA2G4B P0C869 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL9767272 1.00 HTT (0.50) HTTGPR84LMNANAAANR5A1
SCHEMBL9767396 1.00 HTT (0.50) HTTGPR84LMNANAAANR5A1
SCHEMBL9321078 0.98 HTT (0.51) HTTGPR84LMNANAAANR5A1
SCHEMBL9767275 0.93 HTT (0.53) HTTGPR84LMNATSHR
SCHEMBL9766935 0.87 HTT (0.54) HTTLMNANAAATSHR
SCHEMBL9767447 0.73 HTT (0.51) HTTLMNATSHR
SCHEMBL12081639 0.71 LMNA (0.38) GPR84LMNANAAANR5A1PLA2G2A
SCHEMBL10908592 0.68 MEN1 (0.38) GPR84LMNAPLA2G2ALTA4H
SCHEMBL155738 0.67 ALOX5 (0.45)
SCHEMBL11698807 0.67 ALOX5 (0.45)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed