SCHEMBL14766925

SCHEMBL14766925

CCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
FFAR1 O14842 4/20 0.41
NQO1 P15559 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CALM1 P0DP23 1/20 0.35
CHKA P35790 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14766365 1.00 FFAR4 (0.41) FFAR4FFAR1NQO1L3MBTL1MAPT
SCHEMBL1243473 0.95 FFAR4 (0.40) FFAR4FFAR1CTSLCTSSCTSK
SCHEMBL14767070 0.93 CYP3A4 (0.39) FFAR4FFAR1L3MBTL1MAPTRAB9A
SCHEMBL14765976 0.93 CYP3A4 (0.39) FFAR4FFAR1L3MBTL1MAPTRAB9A
SCHEMBL12718657 0.92 CALM1 (0.42) FFAR4FFAR1MAPTCALM1KDM4E
SCHEMBL12821268 0.92 CALM1 (0.42) FFAR4FFAR1MAPTCALM1KDM4E
SCHEMBL12717240 0.91 FFAR4 (0.39) FFAR4FFAR1CTSLCTSSCTSK
SCHEMBL12740090 0.91 FFAR4 (0.39) FFAR4FFAR1CTSLCTSSCTSK
SCHEMBL10301920 0.91 CTSL (0.44) FFAR4FFAR1CTSLCTSSCTSK
SCHEMBL12740092 0.91 CTSL (0.41) FFAR4FFAR1CTSLCTSSCTSK

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed