SCHEMBL14766182

SCHEMBL14766182

C=CCCOc1ccc(-c2ccc(COc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.40
FFAR4 Q5NUL3 3/20 0.40
PPARD Q03181 5/20 0.39
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTGES O14684 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.33
HMOX1 P09601 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 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
SCHEMBL14765797 0.95 S1PR1 (0.41) FFAR1FFAR4PPARDS1PR1S1PR3
SCHEMBL14767238 0.95 FFAR1 (0.44) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL14766252 0.92 S1PR1 (0.42) FFAR1FFAR4PPARDS1PR1S1PR3
SCHEMBL12736576 0.92 FFAR4 (0.39) FFAR1FFAR4PPARDS1PR1S1PR3
SCHEMBL14767195 0.92 CNR2 (0.37) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL14765879 0.92 CNR2 (0.37) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL14767082 0.91 FFAR1 (0.46) FFAR1FFAR4PPARDPPARGPPARA
SCHEMBL14766359 0.90 FFAR1 (0.40) FFAR1FFAR4PPARDS1PR1S1PR3
SCHEMBL14765896 0.89 FFAR1 (0.46) FFAR1FFAR4PPARDS1PR1S1PR3
SCHEMBL14766499 0.89 FFAR1 (0.43) FFAR1FFAR4PPARDS1PR1PPARG

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