SCHEMBL4752336

SCHEMBL4752336

CCOC(=S)Cc1ccc(C(=O)CCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 14/20 0.46
PPARA Q07869 14/20 0.46
PPARG P37231 9/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
FFAR1 O14842 2/20 0.38

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
SCHEMBL1765992 0.90 PPARD (0.48) PPARDPPARAPPARGMAPTMEN1
SCHEMBL12732462 0.90 PPARD (0.46) PPARDPPARAPPARGMAPTMEN1
SCHEMBL12938302 0.88 PPARD (0.49) PPARDPPARAPPARGMAPTMEN1
SCHEMBL4752337 0.87 PPARG (0.34) PPARDPPARAPPARGMAPTMEN1
SCHEMBL24658514 0.86 PPARD (0.49) PPARDPPARAPPARGMAPTMEN1
SCHEMBL30004371 0.86 PPARD (0.49) PPARDPPARAPPARGMAPTMEN1
SCHEMBL1765843 0.85 PPARD (0.59) PPARDPPARAPPARGMAPTMEN1
SCHEMBL4324880 0.85 PPARD (0.50) PPARDPPARAPPARGMAPTMEN1
SCHEMBL30003652 0.84 PPARD (0.47) PPARDPPARAPPARGMAPTMEN1
SCHEMBL2492189 0.84 PPARD (0.50) PPARDPPARAPPARGMAPTMEN1

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