SCHEMBL20407665

SCHEMBL20407665

C=C(CO)CCOc1cc(OCCC(=C)CO)cc(-c2ccc(C3=CCC(C4CCC(CCCCC)CC4)CC3)cc2)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ CNR1 P21554 2/20 0.30
▸ CNR2 P34972 2/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL19856193 0.85 CNR1 (0.31) ITGB3ITGA2BCNR1CNR2
SCHEMBL20407572 0.82 RAB9A (0.36) ITGB3ITGA2BCNR1CNR2PDE4A
SCHEMBL20407624 0.82 ITGB3 (0.37) ITGB3ITGA2BCNR1CNR2
SCHEMBL20322951 0.80 — —
SCHEMBL20407607 0.80 ITGB3 (0.36) ITGB3ITGA2BCNR1CNR2PDE4A
SCHEMBL20407460 0.78 CYP2C9 (0.40) PDE4APDE4D
SCHEMBL11154305 0.78 ESR2 (0.38) —
SCHEMBL11068233 0.78 ESR2 (0.38) —
SCHEMBL19722043 0.78 RARB (0.34) ITGB3ITGA2B
SCHEMBL20407589 0.78 RARA (0.36) ITGB3ITGA2BCNR1CNR2

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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