SCHEMBL13586545

SCHEMBL13586545

CCOc1ccc(C2CCC(CCc3ccc(-c4ccc(OC)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.39
▸ NAAA Q02083 1/20 0.35
▸ FPR2 P25090 3/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ SGPL1 O95470 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 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
SCHEMBL14765726 0.94 KDM1A (0.40) KDM1ANAAAFPR2FFAR4PPARD
SCHEMBL12717060 0.92 FFAR4 (0.36) KDM1ANAAAFFAR4KDM4EALDH1A1
SCHEMBL14765984 0.91 KDM1A (0.38) KDM1ANAAAFFAR4PPARGPPARA
SCHEMBL12735142 0.91 KDM1A (0.40) KDM1ANAAAFPR2FFAR4KDM4E
SCHEMBL12735126 0.90 KDM1A (0.39) KDM1ANAAAFPR2FFAR4
SCHEMBL12735128 0.89 KDM1A (0.39) KDM1ANAAAFPR2FFAR4S1PR1
SCHEMBL12735140 0.89 KDM1A (0.39) KDM1ANAAAFPR2FFAR4S1PR1
SCHEMBL12735132 0.87 KDM1A (0.38) KDM1ANAAAFPR2FFAR4
SCHEMBL10303104 0.87 KDM1A (0.45) KDM1ANAAAFPR2SGPL1S1PR1
SCHEMBL13586547 0.87 FFAR4 (0.35) NAAAFFAR4PPARGPPARDPPARA

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 2 patents. 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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