SCHEMBL29064868

SCHEMBL29064868

CC(C)([C@H](N)C(=O)O)n1c(=O)c(=O)[nH]c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.54
GRIA2 P42262 2/20 0.54
GRIA3 P42263 2/20 0.54
GRIA4 P48058 2/20 0.54
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 5/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
DAO P14920 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34

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
SCHEMBL29064867 1.00 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL8910894 0.77 PARP1 (0.47) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL29064845 0.77 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL8558924 0.72 MEN1 (0.49) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9094035 0.71 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL28823746 0.67 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL24590158 0.67 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9092540 0.67 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL26352125 0.66 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9093084 0.66 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4KDM4E

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-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed