SCHEMBL14766225

SCHEMBL14766225

C=CCCOc1ccc(-c2ccc(OCc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.41
▸ FFAR4 Q5NUL3 4/20 0.41
▸ CACNA1C Q13936 1/20 0.35
▸ PPARD Q03181 1/20 0.34
▸ HMOX1 P09601 2/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ GYS1 P13807 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ ALDH2 P05091 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL14767167 0.96 FFAR1 (0.42) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL14765917 0.94 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3GYS1
SCHEMBL12737139 0.92 FFAR1 (0.39) FFAR1FFAR4GYS1MAOBALDH2
SCHEMBL14766740 0.92 S1PR1 (0.39) FFAR1FFAR4S1PR1S1PR3GYS1
SCHEMBL14766862 0.89 S1PR1 (0.38) FFAR1FFAR4S1PR1S1PR3GYS1
SCHEMBL14766257 0.89 MAOB (0.39) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL14766204 0.89 FFAR1 (0.43) FFAR1FFAR4CACNA1CPPARDHMOX1
SCHEMBL14765764 0.89 S1PR1 (0.39) FFAR1FFAR4PPARDHMOX1S1PR1
SCHEMBL12737140 0.88 FFAR1 (0.39) FFAR1FFAR4S1PR1S1PR3GYS1
SCHEMBL10302510 0.88 FFAR1 (0.34) FFAR1FFAR4PPARDS1PR1S1PR3

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
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