SCHEMBL27650490

SCHEMBL27650490

Cc1cc(N(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C(=O)OC(C)(C)C)cc(C)c1O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.53
PPARA Q07869 15/20 0.49
PPARG P37231 10/20 0.49
FFAR1 O14842 2/20 0.46

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
SCHEMBL27630341 0.89 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL4852707 0.86 PPARD (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL4854448 0.83 PPARD (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL4854322 0.80 FFAR1 (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL27650643 0.80 PPARG (0.47) PPARDPPARAPPARG
SCHEMBL5692529 0.79 PPARD (0.54) PPARDPPARAPPARGFFAR1
SCHEMBL5520257 0.76 PPARD (0.65) PPARDPPARAPPARGFFAR1
SCHEMBL5525583 0.76 PPARD (0.56) PPARDPPARAPPARGFFAR1
SCHEMBL5692109 0.75 PPARD (0.48) PPARDPPARAPPARGFFAR1
SCHEMBL27650470 0.73 PPARD (0.69) PPARDPPARAPPARGFFAR1

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
CN-1809541-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2006-07-26 CN disclosed