SCHEMBL30974521

SCHEMBL30974521

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.64
▸ MAPK9 P45984 1/20 0.64
▸ MAPK10 P53779 1/20 0.64
▸ EPHA2 P29317 2/20 0.57
▸ KEAP1 Q14145 1/20 0.55
▸ REN P00797 9/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY4R P50391 2/20 0.53
▸ NPY5R Q15761 2/20 0.53
▸ RAMP3 O60896 1/20 0.52
▸ CALCR P30988 1/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52

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
SCHEMBL31295732 0.88 MAPK8 (0.60) MAPK8MAPK9MAPK10KEAP1REN
SCHEMBL30974554 0.87 C5AR1 (0.58) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974286 0.87 F2 (0.57) NPY1RNPY2RNPY4RNPY5RCALCR
SCHEMBL30974459 0.87 C5AR1 (0.60) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974458 0.87 C5AR1 (0.59) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30974387 0.87 C5AR1 (0.59) KEAP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607332 0.87 MAPK8 (0.64) MAPK8MAPK9MAPK10EPHA2KEAP1
SCHEMBL30712941 0.86 MAPK8 (0.73) MAPK8MAPK9MAPK10EPHA2KEAP1
SCHEMBL30930223 0.86 OPRM1 (0.55) MAPK8MAPK9MAPK10EPHA2REN
SCHEMBL29590593 0.86 OPRM1 (0.55) MAPK8MAPK9MAPK10EPHA2REN

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 disclosed
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