SCHEMBL29064845

SCHEMBL29064845

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
IDO1 P14902 1/20 0.38
PTPN1 P18031 1/20 0.37
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
ATM Q13315 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ACE P12821 1/20 0.35
CTSL P07711 1/20 0.35
PPARD Q03181 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
SCHEMBL29064867 0.77 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL29064868 0.77 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL9256291 0.71 EPHX2 (0.43) ATM
SCHEMBL9256288 0.71 EPHX2 (0.43) ATM
SCHEMBL27349103 0.70 PPARA (0.48) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL7551469 0.69 POLB (0.49) IDO1CTSSCTSKATM
SCHEMBL24335161 0.68 TLR2 (0.41) GRIA1GRIA2GRIA3GRIA4
SCHEMBL13342905 0.68 PPARA (0.46) IDO1PPARAPPARGCTSSCTSK
SCHEMBL58394 0.68 CTSS (0.49) IDO1PPARAPPARGCTSSCTSK
SCHEMBL5024738 0.68 CTSS (0.49) IDO1PPARAPPARGCTSSCTSK

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