SCHEMBL14767146

SCHEMBL14767146

C=CCCCOc1ccc(OC(=O)c2ccc(-c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FFAR4 Q5NUL3 5/20 0.32
▸ RARB P10826 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ PRSS1 P07477 1/20 0.30
▸ ACR P10323 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ LSS P48449 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
SCHEMBL14767212 0.98 SCN9A (0.34) ALOX5APFEN1SCN9ATHRATHRB
SCHEMBL14767116 0.95 THRA (0.34) ALOX5APFEN1SCN9ATHRATHRB
SCHEMBL14767081 0.94 ALOX5AP (0.36) ALOX5APFEN1SCN9ATHRATHRB
SCHEMBL14767204 0.94 ALOX5AP (0.35) ALOX5APFEN1SCN9AALDH1A1L3MBTL1
SCHEMBL14767222 0.93 SCN9A (0.34) ALOX5APFEN1SCN9ATHRATHRB
SCHEMBL14767296 0.93 ALOX5AP (0.34) ALOX5APFEN1SCN9AFFAR4PPARD
SCHEMBL14767310 0.92 ALOX5AP (0.36) ALOX5APFEN1SCN9ATHRATHRB
SCHEMBL14767155 0.92 ALOX5AP (0.36) ALOX5APFEN1SCN9ATHRATHRB
SCHEMBL14766991 0.92 ALOX5AP (0.34) ALOX5APFEN1SCN9AALDH1A1L3MBTL1
SCHEMBL14766859 0.91 ALOX5AP (0.37) ALOX5APFEN1SCN9AALDH1A1L3MBTL1

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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