SCHEMBL7839632

SCHEMBL7839632

CCCCc1cccc(O[C]=O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.51
PPARG P37231 5/20 0.51
CYP2D6 P10635 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 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
SCHEMBL7603000 0.94 PPARA (0.59) PPARAPPARG
SCHEMBL9572629 0.90 ALOX5 (0.45) PPARAPPARGMTNR1AMTNR1BCHRM2
SCHEMBL2093439 0.82 SOD1 (0.50)
SCHEMBL1788069 0.80 PPARA (0.51) PPARAPPARG
SCHEMBL2096581 0.79 THRB (0.47) CHRM2CHRM1CHRM3
SCHEMBL145383 0.79 CHRM2 (0.65) MTNR1AMTNR1BCHRM2CHRM1CHRM3
SCHEMBL7839636 0.78 PPARA (0.52) PPARAPPARGCYP2D6MTNR1AMTNR1B
SCHEMBL29209337 0.78 PPARA (0.52) PPARAPPARGCYP2D6
SCHEMBL29648269 0.78 PLK1 (0.57) PPARAPPARGCYP2D6
SCHEMBL8986274 0.77 PPARA (0.59) PPARAPPARGCYP2D6CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 EP disclosed