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Sugi Predict / Compounds / SCHEMBL8941341

SCHEMBL8941341

SCHEMBL8941341

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ RARB P10826 2/20 0.32
▸ RARA P10276 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
SCHEMBL8941412 0.97 GABRA1 (0.34) CNR2S1PR1GABRA1GABRB2CNR1
SCHEMBL8941456 0.96 PTPN11 (0.34) CNR2S1PR1GABRA1GABRB2CNR1
SCHEMBL8941428 0.96 PTPN11 (0.34) CNR2S1PR1GABRA1GABRB2CNR1
SCHEMBL8941575 0.96 PTPN11 (0.34) CNR2S1PR1GABRA1GABRB2CNR1
SCHEMBL8941332 0.96 PTPN11 (0.34) CNR2S1PR1GABRA1GABRB2CNR1
SCHEMBL18718327 0.96 CNR2 (0.37) CNR2GABRA1GABRB2CNR1
SCHEMBL8941733 0.95 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL8941564 0.94 FPR2 (0.33) GABRA1GABRB2
SCHEMBL8942757 0.93 CNR2 (0.35) CNR2GABRA1GABRB2CNR1
SCHEMBL8941533 0.90 S1PR1 (0.33) S1PR1RARBRARA

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed