SCHEMBL20111093

SCHEMBL20111093

CCCCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 2/20 0.31
FASN P49327 1/20 0.30
CYP3A4 P08684 1/20 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
SCHEMBL20111094 0.97 CYP2C9 (0.31) GAAMAPTCYP2C9FASNCYP3A4
SCHEMBL20111087 0.97 MAPT (0.33) GAAMAPTCYP2C9FASNCYP3A4
SCHEMBL20111088 0.94 CYP2C9 (0.33) GAAMAPTCYP2C9FASNCYP3A4
SCHEMBL18310494 0.93 CYP2C9 (0.37) MAPTCYP2C9FASNCYP3A4
SCHEMBL12626272 0.90
SCHEMBL18310420 0.89 CYP2C9 (0.39) MAPTCYP2C9FASNCYP3A4
SCHEMBL20111090 0.89 CYP2C9 (0.34) GAAMAPTCYP2C9
SCHEMBL20111092 0.88 ALOX5AP (0.35) CYP2C9FASNCYP3A4
SCHEMBL18310449 0.88 MEN1 (0.33) GAAMAPTCYP2C9
SCHEMBL17175209 0.88 GAA (0.32) GAAMAPTCYP2C9FASNCYP3A4

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