SCHEMBL6532563

SCHEMBL6532563

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CC(Oc1ccc2cc[nH]c2c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.52
PPARA Q07869 13/20 0.52
PPARG P37231 6/20 0.52
FFAR1 O14842 6/20 0.49

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
SCHEMBL6499481 0.82 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL5023890 0.79 PPARD (0.41) PPARDPPARAPPARGFFAR1
SCHEMBL5017243 0.74 PPARD (0.60) PPARDPPARAPPARGFFAR1
SCHEMBL5015431 0.74 PPARD (0.43) PPARDPPARAPPARGFFAR1
SCHEMBL6439387 0.74 PPARD (0.55) PPARDPPARAPPARGFFAR1
SCHEMBL2528903 0.73 PPARD (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL6438796 0.71 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL2465068 0.71 PPARD (0.71) PPARDPPARAPPARGFFAR1
SCHEMBL5697537 0.71 PPARD (0.71) PPARDPPARAPPARGFFAR1
SCHEMBL3371056 0.71 PPARD (0.55) 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
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 WO disclosed