SCHEMBL22383795

SCHEMBL22383795

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ELANE P08246 2/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRA2A P08913 1/20 0.32

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
SCHEMBL15180381 0.93 POLB (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL16559864 0.93 POLB (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL16559814 0.91 POLB (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL21102080 0.91 POLB (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL16559835 0.91 POLB (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL16559847 0.91 POLB (0.43) TDP1POLBAPEX1HTTELANE
SCHEMBL26167221 0.90 POLB (0.41) TDP1POLBAPEX1HTTELANE
SCHEMBL24180754 0.89 POLB (0.40) TDP1POLBAPEX1HTTELANE
SCHEMBL17547075 0.89 ELANE (0.41) TDP1POLBAPEX1HTTELANE
SCHEMBL18440992 0.89 POLB (0.40) TDP1POLBAPEX1HTTELANE

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-3248060-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-09-02 — — EP disclosed
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