SCHEMBL20111094

SCHEMBL20111094

CCCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(OCF)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.31
CYP3A4 P08684 1/20 0.31
FASN P49327 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 2/20 0.30
MAPK1 P28482 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FFAR4 Q5NUL3 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) CYP2C9CYP3A4FASNMAPTGAA
SCHEMBL20111088 0.97 CYP2C9 (0.33) CYP2C9CYP3A4FASNMAPTMEN1
SCHEMBL20111087 0.94 MAPT (0.33) CYP2C9CYP3A4FASNMAPTMEN1
SCHEMBL18310494 0.94 CYP2C9 (0.37) CYP2C9CYP3A4FASNMAPTMEN1
SCHEMBL18310420 0.90 CYP2C9 (0.39) CYP2C9CYP3A4FASNMAPTMEN1
SCHEMBL20111092 0.89 ALOX5AP (0.35) CYP2C9CYP3A4FASN
SCHEMBL18310480 0.88 CYP2C9 (0.38) CYP2C9CYP3A4FASNMAPTMEN1
SCHEMBL18310564 0.88 CYP2C9 (0.38) CYP2C9CYP3A4FASNMAPTMEN1
SCHEMBL20111091 0.88 CYP2C9 (0.35) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL13128373 0.88 CYP1A2 (0.33) CYP2C9MAPTMEN1MAPK1KMT2A

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