SCHEMBL14744155

SCHEMBL14744155

Nc1ccc(-c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.51
NCOA3 Q9Y6Q9 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
TRPA1 O75762 1/20 0.49
SCN9A Q15858 11/20 0.47
SCN5A Q14524 1/20 0.47
S1PR1 P21453 1/20 0.42
MME P08473 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL306822 0.84 FFAR4 (0.55) FFAR4ALOX5APFEN1TRPA1SCN9A
SCHEMBL29788132 0.84 FFAR4 (0.55) FFAR4ALOX5APFEN1TRPA1SCN9A
SCHEMBL1045874 0.83 FFAR4 (0.51) FFAR4ALOX5APFEN1TRPA1SCN9A
SCHEMBL27784743 0.83 MPL (0.40) NCOA1NCOA3FFAR4ALOX5APFEN1
SCHEMBL2141965 0.81 GLA (0.42) NCOA1NCOA3FFAR4ALOX5APFEN1
SCHEMBL2095253 0.81 FFAR4 (0.50) FFAR4ALOX5APFEN1TRPA1SCN9A
SCHEMBL12570859 0.81 FFAR4 (0.47) FFAR4ALOX5APFEN1TRPA1SCN9A
SCHEMBL8221610 0.81 FFAR4 (0.50) FFAR4ALOX5APFEN1TRPA1SCN9A
SCHEMBL977930 0.81 SCN9A (0.56) ALOX5APFEN1TRPA1SCN9ACYP3A4
Hydrochloric Acid SCHEMBL28045031 0.80 GLA (0.41) NCOA1NCOA3FFAR4ALOX5APFEN1

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed