SCHEMBL1768262

SCHEMBL1768262

FC(F)(F)Oc1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HSD11B1 P28845 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MPL P40238 1/20 0.33
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1768406 0.80 TOP1 (0.41) ALDH1A1KDM4EMAPTCYP3A4TDP1
SCHEMBL1840267 0.79 CYP3A4 (0.41) SCN9AL3MBTL1ALDH1A1TRPA1HSD11B1
SCHEMBL1768448 0.78 CYP3A4 (0.48) KDM4ECYP3A4TDP1
SCHEMBL4006970 0.74 TOP1 (0.42) ALDH1A1KDM4EMAPTCYP3A4TDP1
SCHEMBL21041133 0.74 FFAR4 (0.41) FFAR4
SCHEMBL1768566 0.74 CYP3A4 (0.39) CYP3A4TDP1
SCHEMBL5195630 0.73 APP (0.44) ALDH1A1KDM4EMAPTTDP1
SCHEMBL1768199 0.72 TDP1 (0.41) ALDH1A1KDM4ECYP3A4TDP1
SCHEMBL1838651 0.70 GAA (0.37) SCN9AL3MBTL1ALDH1A1TRPA1KDM4E
SCHEMBL1768305 0.70 MYC (0.41) CYP3A4TDP1

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-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed