SCHEMBL21087700

SCHEMBL21087700

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(OC(=O)C(=C)C)cc3)c(F)c2)ccc1OCCOC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ APP P05067 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ PPARD Q03181 1/20 0.31
▸ DGAT1 O75907 4/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ S1PR1 P21453 3/20 0.30
▸ S1PR3 Q99500 2/20 0.30
▸ THRB P10828 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30

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
SCHEMBL16559856 0.93 POLB (0.37) POLBAPEX1HTTTDP1APP
SCHEMBL21559762 0.91 POLB (0.35) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559866 0.90 POLB (0.37) POLBAPEX1HTTTDP1ELANE
SCHEMBL24170705 0.90 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL23350755 0.90 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL18487848 0.90 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL25795454 0.90 POLB (0.36) POLBAPEX1HTTTDP1APP
SCHEMBL21004634 0.90 RARG (0.37) POLBAPEX1HTTTDP1APP
SCHEMBL19158936 0.90 RARG (0.37) POLBAPEX1HTTTDP1APP
SCHEMBL24170586 0.89 THRB (0.35) POLBAPEX1HTTTDP1ELANE

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
US-20190177618-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2019-06-13 — — US disclosed
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