SCHEMBL20407705

SCHEMBL20407705

C=C(CO)CCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(C3CCC(CCC4CCC(CCCCC)CC4)CC3)c(CC)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.31
▸ CNR1 P21554 4/20 0.31
▸ LNPEP Q9UIQ6 2/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 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
SCHEMBL20313698 0.95 CNR2 (0.32) CNR2CNR1LNPEPITGB3ITGA2B
SCHEMBL19854652 0.94 CNR2 (0.33) CNR2CNR1LNPEPITGB3ITGA2B
SCHEMBL20322660 0.90 — —
SCHEMBL20407707 0.89 LNPEP (0.31) LNPEPITGB3ITGA2B
SCHEMBL20322883 0.89 CNR1 (0.30) CNR2CNR1
SCHEMBL20407615 0.89 CNR2 (0.32) CNR2CNR1ITGB3ITGA2B
SCHEMBL20313561 0.89 CYP2C9 (0.32) —
SCHEMBL19854668 0.87 MEN1 (0.30) —
SCHEMBL19722539 0.85 CNR2 (0.38) CNR2CNR1LNPEPITGB3ITGA2B
SCHEMBL19855537 0.85 RARB (0.39) CNR2CNR1ITGB3ITGA2B

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
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
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