SCHEMBL4754239

SCHEMBL4754239

CCC(=O)Oc1ccc(C(=O)CCc2sc(-c3ccc(OC)cc3)nc2C(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 5/20 0.39
TP53 P04637 6/20 0.39
LMNA P02545 4/20 0.39
THRB P10828 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
ALOX5 P09917 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4755237 0.92 MAPT (0.39) MAPTPTGDR2TP53LMNATHRB
SCHEMBL1765935 0.87 PPARD (0.46) MAPTPTGDR2TP53LMNATHRB
SCHEMBL1765940 0.86 PTGDR2 (0.42) MAPTPTGDR2PPARGPPARDPPARA
SCHEMBL12732419 0.86 MAPT (0.40) MAPTPTGDR2TP53LMNATHRB
SCHEMBL30003978 0.86 MAPT (0.41) MAPTPTGDR2TP53LMNATHRB
SCHEMBL24658530 0.86 MAPT (0.41) MAPTPTGDR2TP53LMNATHRB
SCHEMBL2460952 0.85 PPARD (0.45) MAPTPTGDR2TP53LMNATHRB
SCHEMBL2460958 0.85 PTGDR2 (0.40) MAPTPTGDR2TP53LMNATHRB
SCHEMBL2460955 0.85 PPARD (0.38) MAPTPTGDR2TP53LMNATHRB
SCHEMBL1765872 0.84 PPARD (0.41) MAPTLMNAPPARGPPARDPPARA

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