SCHEMBL20111087

SCHEMBL20111087

CCCCCC1CCC(c2ccc(-c3cc(F)c(OCF)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 2/20 0.32
FASN P49327 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
S1PR1 P21453 5/20 0.31
SGPL1 O95470 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
CYP2C8 P10632 1/20 0.30
S1PR3 Q99500 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL20111093 0.97 GAA (0.32) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL20111088 0.97 CYP2C9 (0.33) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL20111094 0.94 CYP2C9 (0.31) MAPTGAACYP2C9CYP3A4FASN
SCHEMBL18310420 0.92 CYP2C9 (0.39) MAPTCYP2C9CYP3A4FASNMEN1
SCHEMBL18310480 0.90 CYP2C9 (0.38) MAPTCYP2C9CYP3A4FASNMEN1
SCHEMBL18310564 0.90 CYP2C9 (0.38) MAPTCYP2C9CYP3A4FASNMEN1
SCHEMBL18310494 0.89 CYP2C9 (0.37) MAPTCYP2C9CYP3A4FASNMEN1
SCHEMBL12625071 0.89 FFAR1 (0.32) FFAR4
SCHEMBL18310532 0.88 ALOX5AP (0.34) CYP2C9CYP3A4FASNFFAR4ALOX5AP
SCHEMBL20111084 0.88 CYP2C9 (0.36) MAPTGAACYP2C9MEN1KMT2A

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