SCHEMBL20407542

SCHEMBL20407542

C=C(CO)CCOc1cc(OCCOC(=O)C(=C)CO)cc(-c2ccc(-c3ccc(CCC4CCC(CCCCC)CC4)c(F)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.39
▸ RARA P10276 1/20 0.39
▸ CNR2 P34972 11/20 0.36
▸ FFAR1 O14842 3/20 0.35
▸ CNR1 P21554 8/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL20313638 0.95 RARB (0.42) RARBRARACNR2FFAR1CNR1
SCHEMBL19854707 0.91 RARB (0.38) RARBRARACNR2FFAR1CNR1
SCHEMBL19854706 0.89 RARB (0.38) RARBRARACNR2FFAR1CNR1
SCHEMBL20322644 0.89 RARB (0.38) RARBRARACNR2FFAR1CNR1
SCHEMBL19854708 0.88 RARB (0.37) RARBRARACNR2FFAR1CNR1
SCHEMBL20407557 0.87 CNR2 (0.35) RARBRARACNR2FFAR1CNR1
SCHEMBL20322689 0.85 RARA (0.34) RARBRARACNR2FFAR1HTR2A
SCHEMBL19855537 0.85 RARB (0.39) RARBRARACNR2FFAR1CNR1
SCHEMBL20407705 0.85 CNR2 (0.31) CNR2CNR1ITGB3ITGA2B
SCHEMBL19854694 0.83 ITGB3 (0.37) RARBRARACNR2CNR1ITGB3

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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