SCHEMBL30974427

SCHEMBL30974427

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ NPY4R P50391 10/20 0.41
▸ NPY1R P25929 7/20 0.41
▸ NPY5R Q15761 6/20 0.41
▸ NPY2R P49146 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ NMUR2 Q9GZQ4 1/20 0.38
▸ NMUR1 Q9HB89 1/20 0.38

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
SCHEMBL8720811 0.96 MAPK8 (0.44) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL8720817 0.96 MAPK8 (0.44) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL31097719 0.95 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL31097702 0.95 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL31097677 0.95 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL31239106 0.95 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL30973948 0.94 MEN1 (0.42) KDM1AMAPK8MAPK9MAPK10MEN1
SCHEMBL29687469 0.93 MAPK8 (0.48) KDM1AMAPK8MAPK9MAPK10NPY4R
SCHEMBL29437943 0.93 MAPK8 (0.43) MAPK8MAPK9MAPK10NPY4RNPY1R
SCHEMBL29517196 0.90 MEN1 (0.40) KDM1AMAPK8MAPK9MAPK10MEN1

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
Send feedback