SCHEMBL14922656

SCHEMBL14922656

CCCCOc1ccc(-c2ccc(C(=O)OC3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.37
▸ CNR2 P34972 5/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 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
SCHEMBL15381743 0.97 SCN9A (0.39) SCN9ACNR2CNR1TSHRMEN1
SCHEMBL15381616 0.97 SCN9A (0.39) SCN9ACNR2CNR1TSHRMEN1
SCHEMBL14922672 0.95 FPR2 (0.33) SCN9ACNR2CNR1MEN1KMT2A
SCHEMBL15381537 0.95 SCN9A (0.40) SCN9ACNR2CNR1TSHRLMNA
SCHEMBL15381730 0.95 SCN9A (0.40) SCN9ACNR2CNR1TSHRLMNA
SCHEMBL14922594 0.94 MAPT (0.36) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL12197268 0.94 SCN9A (0.35) SCN9ACNR2CNR1TSHRLMNA
SCHEMBL14922593 0.93 SCN9A (0.41) SCN9ACNR2CNR1TSHRMEN1
SCHEMBL15381784 0.92 CNR1 (0.35) SCN9ACNR2CNR1MEN1KMT2A
SCHEMBL15381526 0.92 CNR1 (0.35) SCN9ACNR2CNR1MEN1KMT2A

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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