SCHEMBL14765738

SCHEMBL14765738

CCCCOc1ccc(-c2ccc(CCc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.41
▸ NAAA Q02083 3/20 0.37
▸ RARB P10826 3/20 0.35
▸ RARA P10276 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ FPR2 P25090 1/20 0.30

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
SCHEMBL14766410 0.97 NAAA (0.40) S1PR1NAAARARBRARAFFAR4
SCHEMBL14765849 0.97 S1PR1 (0.40) S1PR1NAAARARBRARAFFAR4
SCHEMBL14766107 0.94 S1PR1 (0.37) S1PR1NAAARARBRARAFFAR4
SCHEMBL14765943 0.93 S1PR1 (0.37) S1PR1NAAARARBRARAFFAR4
SCHEMBL12735389 0.91 S1PR1 (0.42) S1PR1NAAARARBRARAFFAR4
SCHEMBL14765737 0.91 NAAA (0.43) S1PR1NAAAFFAR4HRH3FFAR1
SCHEMBL14766399 0.88 NAAA (0.39) S1PR1NAAARARBRARAFFAR4
SCHEMBL14766007 0.88 FFAR4 (0.36) S1PR1FFAR4GABRA1GABRB2CNR2
SCHEMBL14766894 0.88 FFAR4 (0.36) S1PR1FFAR4GABRA1GABRB2CNR2
SCHEMBL12735391 0.88 S1PR1 (0.40) S1PR1NAAARARBRARAFFAR4

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
Send feedback