SCHEMBL28177431

SCHEMBL28177431

CC(=O)OCc1cccc2c1C(=O)NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ CASP3 P42574 7/20 0.44
▸ CASP2 P42575 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CASP8 Q14790 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ IDO1 P14902 1/20 0.36

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
SCHEMBL28176499 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL23723961 0.77 MAOA (0.49) ALDH1A1MEN1KMT2A
SCHEMBL2408327 0.77 KDM4E (0.49) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL8359088 0.76 KDM4E (0.40) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL4619903 0.75 KDM4E (0.44) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL793085 0.75 KDM4E (0.47) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL31474424 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL5970012 0.75 GSK3B (0.50) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL10713059 0.75 GSK3B (0.50) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL11576353 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10GAAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108780-B For the method by N- carboxylic acid methyl phthalimide ester production aminomethylation pearl polymerisation product 朗盛德国有限责任公司 2019-04-19 — — CN disclosed
CN-107108780-A Method for producing aminomethylation pearl polymerisation product by N carboxylic acid methyl phthalimides ester 朗盛德国有限责任公司 2017-08-29 — — CN disclosed
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