SCHEMBL1765953

SCHEMBL1765953

Cc1cc([O])ccc1C(=O)CCc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 12/20 0.49
PPARA Q07869 10/20 0.49
PPARG P37231 7/20 0.49
FFAR1 O14842 5/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 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
SCHEMBL30002883 0.86 PPARD (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL24658532 0.86 PPARD (0.51) PPARDPPARAPPARGFFAR1
SCHEMBL2492189 0.86 PPARD (0.50) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL30003659 0.85 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL1765914 0.85 PPARD (0.57) PPARDPPARAPPARGFFAR1
SCHEMBL24743143 0.85 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL12732403 0.85 PPARD (0.50) PPARDPPARAPPARGFFAR1
SCHEMBL28868243 0.85 PPARD (0.49) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL3522998 0.84 PPARD (0.47) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL12732412 0.84 PPARA (0.56) 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-2011020001-A9 USE OF PPAR DELTA LIGANDS FOR THE TREATMENT OR PREVENTION OF INFLAMMATION OR ENERGY METABOLISM/PRODUCTION RELATED DISEASES CERENIS THERAPEUTICS S.A. (FR) 2011-05-26 WO disclosed