SCHEMBL21322014

SCHEMBL21322014

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.38
▸ RARA P10276 1/20 0.38
▸ FFAR4 Q5NUL3 4/20 0.38
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ PPARG P37231 2/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ APP P05067 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CRBN Q96SW2 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
SCHEMBL19721922 0.95 RARB (0.43) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19722403 0.93 S1PR1 (0.39) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19721932 0.92 RARB (0.41) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19722298 0.90 S1PR1 (0.37) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19722326 0.90 RARB (0.43) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19722125 0.89 RAB9A (0.43) RARBRARAS1PR3RAB9ACYP3A4
SCHEMBL19722468 0.89 RARB (0.42) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19722531 0.89 CYP2C9 (0.38) RARBFFAR4S1PR1S1PR3CYP3A4
SCHEMBL19722586 0.89 FFAR4 (0.34) RARBRARAFFAR4S1PR1S1PR3
SCHEMBL19855539 0.88 RARB (0.36) RARBFFAR4S1PR1S1PR3CYP3A4

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-3257839-B1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORP (JP) 2019-09-04 — — EP disclosed
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