SCHEMBL31382811

SCHEMBL31382811

CC(C(=O)O)C(N)CCC[C@H](N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.52
NOS2 P35228 7/20 0.49
NOS1 P29475 6/20 0.49
NOS3 P29474 4/20 0.49
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
CYP1A2 P05177 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
SLC7A5 Q01650 1/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45

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
SCHEMBL27886717 1.00 GSR (0.52) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL1763743 0.85 GSR (0.54) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL28159600 0.85 GSR (0.54) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL570613 0.85 GSR (0.54) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL17323357 0.82 GSR (0.71) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL29289 0.82 GSR (0.71) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL29291 0.82 GSR (0.71) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL15987065 0.82 GSR (0.71) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL10135848 0.82 GSR (0.71) GSRNOS2NOS1NOS3CYP2C19
SCHEMBL29387596 0.82 GSR (0.71) GSRNOS2NOS1NOS3CYP2C19

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-119487394-A Zebra fish animal model for inflammatory diseases and method for screening anti-inflammatory agent using the same 瑞德尔韩国有限公司 2025-02-18 CN disclosed