SCHEMBL6164370

SCHEMBL6164370

Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)oc2CN(C)C2CCCCC2)ccc1[O]

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.41
PPARA Q07869 10/20 0.41
PPARG P37231 4/20 0.40
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6164377 0.90 PPARD (0.41) PPARDPPARAPPARGHRH4HRH3
SCHEMBL6164763 0.86 PPARD (0.59) PPARDPPARAPPARG
Hydrochloric Acid SCHEMBL5862770 0.86 PPARD (0.59) PPARDPPARAPPARG
SCHEMBL6167418 0.81 PPARD (0.46) PPARDPPARAPPARG
SCHEMBL6167228 0.80 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL6163710 0.80 PPARD (0.47) PPARDPPARAPPARG
SCHEMBL6167938 0.80 PPARD (0.41) PPARDPPARAPPARG
SCHEMBL6167073 0.79 PPARD (0.45) PPARDPPARAPPARG
SCHEMBL6165253 0.79 PPARD (0.44) PPARDPPARAPPARG
SCHEMBL5862769 0.78 HRH3 (0.42) HRH4HRH3ALDH1A1

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