SCHEMBL14922674

SCHEMBL14922674

CCCCOc1ccc(-c2ccc(C3CCC(C(=O)OC4CCC(c5ccc(OCCCC)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FPR2 P25090 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HTR2C P28335 2/20 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
SCHEMBL14922608 1.00 SCN9A (0.38) SCN9AALOX5APFEN1LMNATSHR
SCHEMBL14922667 0.98 SCN9A (0.37) SCN9AALOX5APFEN1LMNATSHR
SCHEMBL14922607 0.98 SCN9A (0.37) SCN9AALOX5APFEN1LMNATSHR
SCHEMBL12197353 0.95 SCN9A (0.36) SCN9AALOX5APFEN1LMNATSHR
SCHEMBL12197231 0.95 SCN9A (0.36) SCN9AALOX5APFEN1LMNATSHR
SCHEMBL2513233 0.94 LMNA (0.38) SCN9AALOX5APFEN1LMNASMN1; SMN2
SCHEMBL2509916 0.94 LMNA (0.38) SCN9AALOX5APFEN1LMNASMN1; SMN2
SCHEMBL2513235 0.94 LMNA (0.38) SCN9AALOX5APFEN1LMNASMN1; SMN2
SCHEMBL2509917 0.94 LMNA (0.38) SCN9AALOX5APFEN1LMNASMN1; SMN2
SCHEMBL2513234 0.94 LMNA (0.38) SCN9AALOX5APFEN1LMNASMN1; SMN2

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-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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