SCHEMBL16579010

SCHEMBL16579010

CCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
MMP12 P39900 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
FASN P49327 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35
APP P05067 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAOB P27338 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL9362548 0.97 GRM2 (0.40) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL9362553 0.97 GRM2 (0.40) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL9358101 0.93 GRM2 (0.42) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL9358091 0.93 GRM2 (0.42) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL3167126 0.92 GRM2 (0.39) GRM2CYP3A4CYP2C9FASNFFAR4
SCHEMBL3167136 0.92 GRM2 (0.39) GRM2CYP3A4CYP2C9FASNFFAR4
SCHEMBL6452813 0.91 GRM2 (0.37) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL6452806 0.91 GRM2 (0.37) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL12622684 0.90 GRM2 (0.36) GRM2MMP12CYP3A4CYP2C9KDM1A
SCHEMBL16579008 0.90 GRM2 (0.43) GRM2MMP12CYP3A4CYP2C9KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9222023-B2 Liquid crystal composition and display device thereof JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-12-29 US disclosed
US-20150076405-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-03-19 US disclosed