SCHEMBL6143205

SCHEMBL6143205

Cc1nn(-c2ccc(C(F)(F)F)cc2)cc1CCOc1cccc(CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
PLA2G4B P0C869 1/20 0.40
SLC2A1 P11166 1/20 0.40
CYP2C9 P11712 1/20 0.40
NR1H2 P55055 6/20 0.39
NR1H3 Q13133 6/20 0.39
ALDH1A1 P00352 2/20 0.39
RXRA P19793 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
MAPT P10636 1/20 0.39
VHL P40337 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6035650 0.85 PLA2G4B (0.39) PPARAPPARGPPARDPLA2G4BNR1H2
SCHEMBL6143442 0.84 PPARA (0.43) PPARAPPARGPPARDPTGDR2CYP2C9
SCHEMBL6035564 0.84 PLA2G4B (0.42) PPARAPPARGPPARDPLA2G4BCYP2C9
SCHEMBL5904704 0.84 NR1H3 (0.44) PPARAPPARGPPARDPTGDR2PLA2G4B
SCHEMBL5904705 0.81 PTGDR2 (0.48) PPARAPPARGPPARDPTGDR2CYP2C9
SCHEMBL6035936 0.80 PPARD (0.44) PPARAPPARGPPARDPTGDR2NR1H2
SCHEMBL5904556 0.80 FFAR2 (0.40) PPARAPPARGPPARDPTGDR2CYP2C9
SCHEMBL5904716 0.80 PPARA (0.47) PPARAPPARGPPARDPTGDR2CYP2C9
SCHEMBL6036002 0.80 NR1H2 (0.45) PPARAPPARGPPARDPTGDR2NR1H2
SCHEMBL6035924 0.78 SMN1; SMN2 (0.39) PPARAPPARGPPARDPLA2G4BNR1H2

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-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP claimed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO claimed