SCHEMBL7839636

SCHEMBL7839636

CCCCc1cccc(OC=O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.52
PPARG P37231 5/20 0.52
CYP2D6 P10635 3/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL7603007 0.95 PPARA (0.59) PPARAPPARG
SCHEMBL9572631 0.91 CHRM2 (0.47) PPARAPPARGCYP2D6CHRM2CHRM1
Butylbenzyl SCHEMBL27552843 0.84 SIGMAR1 (0.47) PPARAPPARGCHRM2CHRM1
SCHEMBL2093441 0.84 SOD1 (0.46) CHRM2CHRM1CHRM3
SCHEMBL145383 0.80 CHRM2 (0.65) CHRM2CHRM1CHRM3MTNR1AMTNR1B
Formic Acid Phenyl Ester SCHEMBL27528899 0.80 KCNH2 (0.51) PPARAPPARG
SCHEMBL9011837 0.80 PPARA (0.57) PPARAPPARG
SCHEMBL5253611 0.80 PPARA (0.57) PPARAPPARG
SCHEMBL8957630 0.79 PPARA (0.56) PPARAPPARG
SCHEMBL5387330 0.79 PPARA (0.56) PPARAPPARG

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