SCHEMBL6167940

SCHEMBL6167940

Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)oc2CN(C)CCc2ccccc2)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.40
PPARA Q07869 7/20 0.40
PPARG P37231 3/20 0.39
HDAC1 Q13547 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 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
SCHEMBL6167938 0.90 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL6166880 0.87 PPARD (0.57) PPARDPPARAPPARG
Hydrochloric Acid SCHEMBL5861852 0.87 PPARD (0.56) PPARDPPARAPPARG
SCHEMBL6164059 0.86 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL6168010 0.85 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL5861914 0.84 PPARD (0.43) PPARDPPARAPPARG
SCHEMBL5862035 0.81 PRMT1 (0.40) HDAC1
SCHEMBL6164377 0.80 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL6167419 0.79 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL6167231 0.79 PPARD (0.47) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392674-B1 FURAN AND THIOPHENE DERIVATIVES THAT ACTIVATE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS SMITHKLINE BEECHAM CORP (US) 2005-08-10 EP claimed