SCHEMBL19159115

SCHEMBL19159115

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)C)cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ AAK1 Q2M2I8 4/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ FAAH O00519 2/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ CSF3R Q99062 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
SCHEMBL21115722 0.95 POLB (0.37) POLBAPEX1HTTTDP1AAK1
SCHEMBL16559830 0.93 POLB (0.41) POLBAPEX1HTTTDP1AAK1
SCHEMBL16559845 0.92 POLB (0.40) POLBAPEX1HTTTDP1AAK1
SCHEMBL16559831 0.91 POLB (0.39) POLBAPEX1HTTTDP1AAK1
SCHEMBL24170586 0.90 THRB (0.35) POLBAPEX1HTTTDP1AAK1
SCHEMBL18487314 0.90 THRB (0.35) POLBAPEX1HTTTDP1AAK1
SCHEMBL18820263 0.89 POLB (0.33) POLBAPEX1HTTTDP1AAK1
SCHEMBL18511710 0.89 NR4A2 (0.39) POLBAPEX1HTTTDP1AAK1
SCHEMBL25795454 0.88 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL19159161 0.88 NR4A2 (0.38) POLBAPEX1HTTTDP1RARA

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-2848676-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
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