SCHEMBL14765756

SCHEMBL14765756

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.38
PPARD Q03181 4/20 0.38
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
NAAA Q02083 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
GYS1 P13807 1/20 0.33
MGAM O43451 3/20 0.32
GAA P10253 3/20 0.32

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
SCHEMBL14767237 0.92 CTSL (0.38) FFAR1LMNACTSLCTSSCTSK
SCHEMBL14766411 0.92 CTSL (0.38) FFAR1LMNACTSLCTSSCTSK
SCHEMBL14766297 0.91 FFAR1 (0.42) FFAR1PPARDS1PR1MEN1KMT2A
SCHEMBL14765977 0.90 S1PR1 (0.38) FFAR1PPARDS1PR1MEN1KMT2A
SCHEMBL14766423 0.90 LMNA (0.39) FFAR1PPARDLMNAMEN1ALDH1A1
SCHEMBL14766202 0.89 FFAR1 (0.42) FFAR1PPARDLMNANAAAPPARG
SCHEMBL12735665 0.89 FFAR4 (0.36) FFAR1LMNAS1PR1CTSLCTSS
SCHEMBL14766076 0.87 MAOB (0.37) FFAR1LMNAS1PR1CTSLCTSS
SCHEMBL14765867 0.87 FFAR1 (0.44) FFAR1PPARDLMNAMEN1ALDH1A1
SCHEMBL14766871 0.87 PTGES (0.35) LMNAS1PR1CTSLCTSSCTSK

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