SCHEMBL5692109

SCHEMBL5692109

COC(=O)COc1ccc(N(Cc2sc(-c3ccc(C(F)(F)F)cc3)nc2S(C)(=O)=O)C(=O)OC(C)(C)C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 20/20 0.48
PPARA Q07869 10/20 0.48
PPARG P37231 6/20 0.48
FFAR1 O14842 1/20 0.41

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
SCHEMBL4854448 0.90 PPARD (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL4853443 0.77 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL27650490 0.75 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL4852707 0.74 PPARD (0.47) PPARDPPARAPPARGFFAR1
SCHEMBL27630341 0.73 PPARD (0.53) PPARDPPARAPPARGFFAR1
SCHEMBL4854322 0.72 FFAR1 (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL6237810 0.71 PPARD (0.83) PPARDPPARAPPARGFFAR1
SCHEMBL4860828 0.71 FFAR1 (0.65) PPARDPPARAPPARGFFAR1
SCHEMBL4852816 0.71 PPARD (0.71) PPARDPPARAPPARGFFAR1
SCHEMBL6239544 0.71 PPARD (0.83) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed