SCHEMBL30589488

SCHEMBL30589488

CC(C)(C)OC[C@H](N)C(=O)O.[N]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ SLC7A5 Q01650 2/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ GRIK1 P39086 5/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ SLC7A11 Q9UPY5 1/20 0.39
▸ SLC1A2 P43004 6/20 0.38
▸ SLC1A3 P43003 5/20 0.38
▸ SLC1A1 P43005 5/20 0.38
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ GRIK2 Q13002 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GRM8 O00222 1/20 0.37
▸ GRM6 O15303 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37

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
SCHEMBL561163 0.98 MAPK1 (0.44) MAPK1SLC7A5NOS3NOS1NOS2
SCHEMBL1644294 0.98 MAPK1 (0.44) MAPK1SLC7A5NOS3NOS1NOS2
SCHEMBL241174 0.98 MAPK1 (0.44) MAPK1SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL920374 0.96 MAPK1 (0.43) MAPK1SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL919391 0.96 MAPK1 (0.43) MAPK1SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL920376 0.96 MAPK1 (0.43) MAPK1SLC7A5NOS3NOS1NOS2
SCHEMBL31276487 0.83 SLC7A5 (0.41) SLC7A5NOS3NOS1NOS2GRIK1
SCHEMBL16449782 0.81 MAPK1 (0.46) MAPK1SLC7A5GRNSORT1
SCHEMBL16449784 0.81 MAPK1 (0.46) MAPK1SLC7A5GRNSORT1
SCHEMBL16450884 0.80 MAPK1 (0.44) MAPK1SLC7A5NOS3NOS1NOS2

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-116670120-A Process for preparing carboxylic cyclic anhydride 北京大学 2023-08-29 — — CN disclosed
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