SCHEMBL4752337

SCHEMBL4752337

CCOC(=S)Cc1ccc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.34
EPHX2 P34913 3/20 0.34
S1PR1 P21453 4/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 5/20 0.33
PPARA Q07869 5/20 0.33
NR1H4 Q96RI1 1/20 0.32
WNT3A P56704 3/20 0.31
CTNNB1 P35222 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1765993 0.90 PPARD (0.34) PPARGS1PR1MEN1MAPTKMT2A
SCHEMBL4752336 0.87 PPARD (0.46) PPARGMEN1MAPTKMT2APPARD
SCHEMBL2467481 0.83 PPARD (0.38) PPARGEPHX2S1PR1PPARDPPARA
SCHEMBL2463130 0.83 WNT3A (0.36) PPARGPPARDPPARANR1H4WNT3A
SCHEMBL2468551 0.82 PPARA (0.41) PPARGEPHX2S1PR1PPARDPPARA
SCHEMBL4789429 0.81 PPARD (0.36) PPARGS1PR1MEN1MAPTKMT2A
SCHEMBL2466122 0.80 PPARD (0.45) PPARGMEN1MAPTKMT2APPARD
SCHEMBL2464421 0.80 PPARD (0.45) PPARGS1PR1PPARDPPARAWNT3A
SCHEMBL2466105 0.80 PPARD (0.37) PPARGS1PR1PPARDPPARANR1H4
SCHEMBL2464201 0.79 PPARD (0.49) PPARGPPARDPPARAWNT3A

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