SCHEMBL30974053

SCHEMBL30974053

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.40
▸ RAMP3 O60896 11/20 0.39
▸ CALCR P30988 11/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ KDM1A O60341 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
SCHEMBL29825115 0.97 KEAP1 (0.41) KEAP1RAMP3CALCREPHX2MAPK8
SCHEMBL29825278 0.95 MEN1 (0.39) KEAP1RAMP3CALCRMAPK8MAPK9
SCHEMBL29777409 0.91 KEAP1 (0.41) KEAP1EPHX2MAPK8MAPK9MAPK10
SCHEMBL30808875 0.90 KEAP1 (0.44) KEAP1RAMP3CALCREPHX2MAPK8
SCHEMBL29892053 0.90 KEAP1 (0.41) KEAP1RAMP3CALCRMAPK8MAPK9
SCHEMBL29406566 0.89 KEAP1 (0.43) KEAP1RAMP3CALCRMAPK8MAPK9
SCHEMBL29824927 0.89 MAPK8 (0.42) KEAP1EPHX2MAPK8MAPK9MAPK10
SCHEMBL31632216 0.89 MEN1 (0.41) KEAP1EPHX2MAPK8MAPK9MAPK10
SCHEMBL29689742 0.89 PRCP (0.44) EPHX2MAPK8MAPK9MAPK10
SCHEMBL29824782 0.88 NMT1 (0.40) MAPK8MAPK9MAPK10NMT2NMT1

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO claimed
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