SCHEMBL19722589

SCHEMBL19722589

CCCCCC1CCC(COc2ccc(-c3ccc(CCCOC)cc3)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.47
▸ S1PR3 Q99500 4/20 0.47
▸ RARB P10826 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ PARP15 Q460N3 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL9193816 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193783 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193780 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193596 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9191627 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193949 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193813 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193600 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9193953 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A
SCHEMBL9192374 0.92 RARB (0.49) S1PR1S1PR3RARBFFAR4SCN9A

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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