SCHEMBL21321790

SCHEMBL21321790

CCCCCC1CCC(C2CCC(COc3ccc(-c4ccc(OCCOC(C)=O)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 4/20 0.43
▸ S1PR1 P21453 2/20 0.42
▸ S1PR3 Q99500 2/20 0.42
▸ RARB P10826 2/20 0.40
▸ RARA P10276 1/20 0.40
▸ FFAR1 O14842 2/20 0.38
▸ PTPN11 Q06124 2/20 0.38
▸ PARP10 Q53GL7 2/20 0.37
▸ PARP15 Q460N3 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ MOGAT2 Q3SYC2 2/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL19721940 0.89 FFAR4 (0.40) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL21321789 0.82 FFAR4 (0.36) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL9191579 0.81 S1PR1 (0.46) FFAR4S1PR1S1PR3RARBFFAR1
SCHEMBL9191576 0.81 S1PR1 (0.46) FFAR4S1PR1S1PR3RARBFFAR1
SCHEMBL9193600 0.80 RARB (0.49) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL9193949 0.80 RARB (0.49) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL9193596 0.80 RARB (0.49) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL9193783 0.80 RARB (0.49) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL9190801 0.80 S1PR3 (0.45) FFAR4S1PR1S1PR3RARBFFAR1
SCHEMBL9193953 0.80 RARB (0.49) FFAR4S1PR1S1PR3RARBRARA

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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