SCHEMBL19722392

SCHEMBL19722392

C=C(CO)C(=O)OCCOc1ccc(-c2ccc(OC(O)C3CCC(CCCCC)CC3)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ RARB P10826 2/20 0.36
▸ RARA P10276 1/20 0.36
▸ FFAR4 Q5NUL3 11/20 0.35
▸ ITGB3 P05106 3/20 0.35
▸ ITGA2B P08514 3/20 0.35

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
SCHEMBL19722391 0.88 S1PR1 (0.37) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19721940 0.86 FFAR4 (0.40) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL21322014 0.86 RARB (0.38) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19721922 0.85 RARB (0.43) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19722403 0.85 S1PR1 (0.39) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19722090 0.82 S1PR1 (0.47) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19722298 0.82 S1PR1 (0.37) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19856063 0.82 S1PR1 (0.35) S1PR1S1PR3RARBRARAFFAR4
SCHEMBL19854707 0.82 RARB (0.38) S1PR1S1PR3RARBRARA
SCHEMBL19721932 0.81 RARB (0.41) S1PR1S1PR3RARBRARAFFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 — — EP disclosed
EP-3257839-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-20 — — EP disclosed
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