SCHEMBL4751944

SCHEMBL4751944

C=CCc1cc(C(=O)CCc2sc(-c3ccccc3C(F)(F)F)nc2C(C)C)ccc1OCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
PTGDR Q13258 1/20 0.38
PPARD Q03181 12/20 0.37
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSA P10619 1/20 0.35
ELANE P08246 1/20 0.35
FFAR1 O14842 3/20 0.34

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
SCHEMBL1766000 0.90 PPARD (0.40) PTGDR2PPARDPPARAPPARGMEN1
SCHEMBL2466122 0.89 PPARD (0.45) PPARDPPARAPPARGMEN1ALDH1A1
SCHEMBL1765892 0.87 PTGDR2 (0.40) PTGDR2PPARDPPARAPPARGMEN1
SCHEMBL2462566 0.87 PPARD (0.40) PTGDR2PPARDPPARAPPARGMEN1
SCHEMBL1765842 0.87 PPARD (0.49) PPARDPPARAPPARGFFAR1
SCHEMBL12732410 0.81 PPARD (0.42) PPARDPPARAPPARGMAPTFFAR1
SCHEMBL2466834 0.80 PPARD (0.42) PPARDPPARAPPARGMEN1MAPT
SCHEMBL2464883 0.79 PPARD (0.41) PPARDPPARAPPARGFFAR1
SCHEMBL2464421 0.79 PPARD (0.45) PTGDR2PPARDPPARAPPARGCTSA
SCHEMBL2468793 0.79 PPARD (0.56) PPARDPPARAPPARGMEN1ALDH1A1

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