SCHEMBL19157428

SCHEMBL19157428

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(C)(C)C)cc(-c2ccc(OC(=O)C(=C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ELANE P08246 9/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ THRB P10828 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL27255246 1.00 POLB (0.42) POLBAPEX1HTTTDP1ELANE
SCHEMBL19624380 0.93 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL19914776 0.93 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559853 0.92 POLB (0.48) POLBAPEX1HTTTDP1ELANE
SCHEMBL16351987 0.92 POLB (0.48) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559844 0.91 POLB (0.47) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559827 0.91 POLB (0.47) POLBAPEX1HTTTDP1ELANE
SCHEMBL25795454 0.89 POLB (0.36) POLBAPEX1HTTTDP1ELANE
SCHEMBL19187256 0.88 POLB (0.52) POLBAPEX1HTTTDP1THRB
SCHEMBL18500413 0.87 POLB (0.44) 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
EP-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
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