SCHEMBL14922605

SCHEMBL14922605

CCCCOc1ccc(C2=CCC(OC(=O)c3ccc(C4CC=C(c5ccc(OCCCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CCNT1 O60563 3/20 0.31
▸ CDK9 P50750 3/20 0.31
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL12197182 0.96 SCN9A (0.31) SCN9ACCNT1CDK9
SCHEMBL14922544 0.94 SCN9A (0.34) SCN9ACNR1CNR2CCNT1CDK9
SCHEMBL15381622 0.92 CNR2 (0.35) SCN9ACNR1CNR2CCNT1CDK9
SCHEMBL15381538 0.92 CNR2 (0.35) SCN9ACNR1CNR2CCNT1CDK9
SCHEMBL12197170 0.91 SCN9A (0.34) SCN9A
SCHEMBL15381738 0.90 SCN9A (0.34) SCN9ACNR1CNR2CRBN
SCHEMBL15381756 0.90 SCN9A (0.34) SCN9ACNR1CNR2CRBN
SCHEMBL15381529 0.90 CNR2 (0.34) CNR1CNR2CCNT1CDK9CRBN
SCHEMBL15381539 0.90 CNR2 (0.34) CNR1CNR2CCNT1CDK9CRBN
SCHEMBL14922580 0.90 CCNT1 (0.31) CNR1CNR2CCNT1CDK9

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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