SCHEMBL14765686

SCHEMBL14765686

CCOc1ccc(-c2ccc(C3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.44
FFAR1 O14842 3/20 0.44
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
PPARD Q03181 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NQO1 P15559 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PTGS2 P35354 1/20 0.34
DHODH Q02127 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
SCHEMBL12733958 0.94 FFAR4 (0.39) FFAR4FFAR1CAMKK1CAMKK2LMNA
SCHEMBL14765799 0.94 LMNA (0.41) FFAR4FFAR1NPC1ALDH1A1LMNA
SCHEMBL12716114 0.93 FFAR4 (0.38) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL12733955 0.92 FFAR4 (0.40) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL14765702 0.91 FFAR4 (0.38) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL12733950 0.91 FFAR4 (0.38) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL12733952 0.90 FFAR4 (0.36) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL14765684 0.89 FFAR4 (0.41) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL12716257 0.89 PTGS2 (0.41) FFAR4FFAR1CAMKK1CAMKK2LMNA
SCHEMBL12733953 0.89 FFAR4 (0.36) FFAR4FFAR1CAMKK1CAMKK2PPARD

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