SCHEMBL28839420

SCHEMBL28839420

C=CC(=O)OCC(=O)N(OC(=O)C=C)c1ccc2cccc3c2c1C(=O)NC3=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ GAA P10253 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL28839383 0.85 PARP1 (0.40) PARP1GAARXFP1NPSR1
SCHEMBL28839464 0.67 KDM4E (0.55) PARP1GAARXFP1
SCHEMBL10396745 0.67 PARP1 (0.49) PARP1GAARXFP1NPSR1
SCHEMBL8518060 0.65 PARP1 (0.53) PARP1GAARXFP1NPSR1
SCHEMBL12097976 0.64 THRB (0.43) GAARXFP1
SCHEMBL7645289 0.64 TYMS (0.46) PARP1GAARXFP1
SCHEMBL1756367 0.63 PARP1 (0.63) PARP1GAARXFP1NPSR1
Pyrene SCHEMBL31384336 0.63 CYP1A2 (0.43) —
SCHEMBL28900877 0.62 PARP1 (0.53) PARP1GAARXFP1NPSR1
SCHEMBL28095488 0.62 PARP1 (0.53) PARP1GAARXFP1NPSR1

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
CN-115073860-A High-thermal-stability functionalized graphene-polyvinyl chloride cable material and preparation method thereof 扬州实嘉电缆材料有限公司 2022-09-20 — — CN disclosed
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