SCHEMBL4754459

SCHEMBL4754459

Cc1cc(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1S

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.49
PPARA Q07869 11/20 0.49
PPARG P37231 8/20 0.49
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.44
FFAR1 O14842 5/20 0.43
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
SCHEMBL2492189 0.91 PPARD (0.50) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL1673291 0.91 PPARD (0.49) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL24658514 0.88 PPARD (0.49) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL12938302 0.88 PPARD (0.49) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL30004371 0.88 PPARD (0.49) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL1765843 0.87 PPARD (0.59) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4752363 0.87 PPARD (0.52) PPARDPPARAPPARGMAPT
SCHEMBL30003652 0.87 PPARD (0.47) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL1765992 0.86 PPARD (0.48) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL4752362 0.86 PPARD (0.53) PPARDPPARAPPARGMAPTFFAR1

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-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed