SCHEMBL4024878

SCHEMBL4024878

CCCCCCCCOc1ccc(C(=O)NNC(=O)C2(C)COC(C)(C)N2C(=O)O)cc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 1/20 0.39
PPARD Q03181 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CNR2 P34972 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
SMPD1 P17405 6/20 0.36
RXFP1 Q9HBX9 1/20 0.34
CREBBP Q92793 1/20 0.34
RXRA P19793 1/20 0.34
PTPN1 P18031 1/20 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
SCHEMBL1171971 0.87 THRA (0.47) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL2955178 0.87 THRA (0.47) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL4018047 0.86 THRA (0.45) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL3180727 0.83 THRA (0.43) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL2945532 0.80 THRA (0.44) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL2945531 0.80 THRA (0.44) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL2957021 0.79 DDR1 (0.35) CNR2
SCHEMBL3944697 0.79 THRA (0.45) PLA2G2DPPARDPPARGPPARACNR2
SCHEMBL2946699 0.78 S1PR1 (0.37) PPARDPPARGPPARACNR2THRA
SCHEMBL2952131 0.77 PDE4A (0.37) PPARDPPARGPPARACNR2THRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046746-A2 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-04-15 EP disclosed
WO-2008016692-A2 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-07 WO disclosed