SCHEMBL28176499

SCHEMBL28176499

CCC(=O)OCc1cccc2c1C(=O)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 3/20 0.44
▸ CASP3 P42574 6/20 0.41
▸ GSK3B P49841 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ WEE1 P30291 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35

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
SCHEMBL11576353 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL28177431 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2408327 0.78 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL11662041 0.78 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL8359088 0.77 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28326979 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4577937 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL28287556 0.76 CYP4F2 (0.51) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL8853253 0.75 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL17938470 0.74 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10NPSR1

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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