SCHEMBL20111086

SCHEMBL20111086

CCC1CCC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
FASN P49327 1/20 0.34
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
APP P05067 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KDM1A O60341 2/20 0.30

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
SCHEMBL20111092 0.96 ALOX5AP (0.35) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL19829116 0.93 ALOX5AP (0.38) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL18310420 0.91 CYP2C9 (0.39) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL19542793 0.91 FFAR4 (0.34) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL19542813 0.90 FFAR4 (0.34) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL18310480 0.89 CYP2C9 (0.38) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL18310564 0.89 CYP2C9 (0.38) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL20111088 0.89 CYP2C9 (0.33) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL20111087 0.88 MAPT (0.33) ALOX5APFEN1FASNCYP3A4CYP2C9
SCHEMBL18310494 0.88 CYP2C9 (0.37) ALOX5APFEN1FASNCYP3A4CYP2C9

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
US-20180119011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2018-05-03 US disclosed