SCHEMBL14766507

SCHEMBL14766507

C=CCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.37
▸ FEN1 P39748 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ LSS P48449 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ PPARD Q03181 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ MAPT P10636 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
SCHEMBL14766859 1.00 ALOX5AP (0.37) ALOX5APFEN1ALDH1A1L3MBTL1GABRA1
SCHEMBL14767216 0.98 ALOX5AP (0.36) ALOX5APFEN1ALDH1A1L3MBTL1GABRA1
SCHEMBL14766056 0.98 ALOX5AP (0.36) ALOX5APFEN1ALDH1A1L3MBTL1GABRA1
SCHEMBL14767309 0.94 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1RARBSCN9A
SCHEMBL14766180 0.94 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1RARBSCN9A
SCHEMBL14766258 0.92 ALOX5AP (0.39) ALOX5APFEN1L3MBTL1GABRA1GABRB2
SCHEMBL14766972 0.92 ALOX5AP (0.39) ALOX5APFEN1L3MBTL1GABRA1GABRB2
SCHEMBL14766018 0.92 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1RARBSCN9A
SCHEMBL14767133 0.92 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1RARBSCN9A
SCHEMBL14767241 0.92 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1RARBSCN9A

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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