SCHEMBL24170705

SCHEMBL24170705

C=C(C)C(=O)OCCOc1ccc(-c2ccc(OC(=O)C(=C)C)cc2)cc1OCCOC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ELANE P08246 11/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ THRB P10828 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL18487848 1.00 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL23350755 1.00 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL26142346 0.96 ELANE (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL23397388 0.94 POLB (0.38) POLBAPEX1HTTTDP1ELANE
SCHEMBL19624400 0.93 ELANE (0.41) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559864 0.92 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL15180381 0.92 POLB (0.43) POLBAPEX1HTTTDP1ELANE
SCHEMBL21087700 0.90 POLB (0.33) POLBAPEX1HTTTDP1ELANE
SCHEMBL22592354 0.90 ELANE (0.40) POLBAPEX1HTTTDP1ELANE
SCHEMBL21102080 0.90 POLB (0.43) 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
WO-2022003001-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-06 — — WO disclosed
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