SCHEMBL18156331

SCHEMBL18156331

CCc1ccc(OCc2c(OC(=O)N=NC)cccc2C(F)(F)F)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.46
FFAR1 O14842 4/20 0.46
PPARA Q07869 2/20 0.38
MRGPRX4 Q96LA9 7/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
FFAR2 O15552 1/20 0.37
ANO1 Q5XXA6 1/20 0.36

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
SCHEMBL18183121 0.89 FFAR4 (0.50) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182779 0.87 FFAR4 (0.48) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18183120 0.86 FFAR4 (0.48) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182422 0.86 FFAR4 (0.49) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182898 0.85 FFAR4 (0.48) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182062 0.85 FFAR4 (0.45) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182619 0.83 FFAR4 (0.44) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182877 0.82 FFAR4 (0.43) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182530 0.82 FFAR4 (0.44) FFAR4FFAR1PPARAMRGPRX4RXRA
SCHEMBL18182276 0.79 FFAR4 (0.48) FFAR4FFAR1MRGPRX4RXRARXRB

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
EP-3081559-A1 AROMATIC COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-10-19 EP disclosed