SCHEMBL30294237

SCHEMBL30294237

C[C@H](NCCC[C@H](N)C(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
OTC P00480 1/20 0.47
NOS2 P35228 5/20 0.44
NOS1 P29475 5/20 0.44
NOS3 P29474 4/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ARG2 P78540 4/20 0.44
ARG1 P05089 3/20 0.44
NOD1 Q9Y239 1/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
DDAH1 O94760 2/20 0.42

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
SCHEMBL29067172 1.00 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL187909 0.94 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL21068053 0.94 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL9974063 0.94 GSR (0.52) GSROTCNOS2NOS1NOS3
SCHEMBL8709636 0.86 GSR (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL18741586 0.86 GSR (0.50) GSROTCNOS2NOS1NOS3
SCHEMBL14844417 0.86 GSR (0.50) GSROTCNOS2NOS1NOS3
Hydrochloric Acid SCHEMBL30839685 0.85 GSR (0.48) GSROTCNOS2NOS1NOS3
Hydrochloric Acid SCHEMBL29176246 0.85 GSR (0.48) GSROTCNOS2NOS1NOS3
SCHEMBL9980200 0.83 NOD1 (0.44) GSROTCNOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 CN claimed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN claimed
CN-117789993-B Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-06-11 CN disclosed
CN-117789993-A Establishment and application of gastric cancer prediction model based on tongue fur metabolite 浙江省肿瘤医院 2024-03-29 CN disclosed
CN-116046942-B Composition and method for distinguishing difenoconazole sensitive type and drug-resistant type alternaria alternate strain and application 福建省农业科学院植物保护研究所 2023-09-12 CN disclosed
CN-116046942-A Composition and method for distinguishing difenoconazole sensitive type and drug-resistant type alternaria alternate strain and application 福建省农业科学院植物保护研究所 2023-05-02 CN disclosed