SCHEMBL11453331

SCHEMBL11453331

CCOC(=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
PIN1 Q13526 1/20 0.76
PIN4 Q9Y237 1/20 0.76
NPSR1 Q6W5P4 1/20 0.65
MAPT P10636 2/20 0.64
HTT P42858 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.60
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA2 P00918 1/20 0.58

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
SCHEMBL1989875 0.89 ALDH1A1 (0.61) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL523639 0.87 PIN1 (0.68) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL7133295 0.87 KMT2A (0.60) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL442751 0.86 PIN1 (1.00) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL11395567 0.86 PIN1 (0.75) ALDH1A1PIN1PIN4MAPTHTT
SCHEMBL521967 0.84 ALDH1A1 (0.83) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL398553 0.83 ALDH1A1 (0.59) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL9798486 0.83 HPGD (0.63) ALDH1A1PIN1PIN4MAPTHSD17B10
SCHEMBL31440149 0.83 ALDH1A1 (0.59) ALDH1A1PIN1PIN4NPSR1MAPT
SCHEMBL4987320 0.83 ALDH1A1 (0.71) ALDH1A1PIN1PIN4NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947666-A Preparation method of carbon isotope labeled glycine 深圳市中核海得威生物科技有限公司 2023-10-27 CN disclosed
CN-113493392-B Glycine-1- 14 Process for the preparation of C 无锡贝塔医药科技有限公司 2023-06-02 CN disclosed
CN-113493392-A Glycine-1-14Preparation method of C 无锡贝塔医药科技有限公司 2021-10-12 CN disclosed
CN-105732683-B The dipeptide boronic acid and its ester type compound, preparation method and its usage of a kind of carboxylic acid and alpha amino acid composition 南京林业大学 2018-10-16 CN disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed