SCHEMBL31064903

SCHEMBL31064903

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 10/20 0.43
▸ NTSR2 O95665 9/20 0.43
▸ SORT1 Q99523 3/20 0.43
▸ TGM2 P21980 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ PLK1 P53350 1/20 0.40

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
SCHEMBL31461992 0.93 EP300 (0.43) NTSR1NTSR2TGM2MAPK8MAPK9
SCHEMBL29805617 0.91 NTSR1 (0.49) NTSR1NTSR2SORT1
SCHEMBL29450071 0.91 ACE (0.40) EPHA2
SCHEMBL30997453 0.90 NTSR1 (0.45) NTSR1NTSR2SORT1TGM2MAPK8
SCHEMBL30772919 0.89 NTSR2 (0.46) NTSR1NTSR2SORT1PLK1
SCHEMBL31461877 0.88 NTSR1 (0.43) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL31606963 0.88 MAPK8 (0.48) NTSR1NTSR2SORT1TGM2MAPK8
SCHEMBL29678149 0.87 MAPK8 (0.46) NTSR1NTSR2SORT1MAPK8MAPK9
SCHEMBL24452714 0.87 KMT2A (0.44) NTSR1NTSR2SORT1
SCHEMBL31462085 0.85 NTSR2 (0.47) NTSR1NTSR2SORT1MAPK8MAPK9

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-118581102-A Corn aspergillus flavus resistance gene ZmAFR, expression product, excellent haplotype and application thereof in corn breeding 河南农业大学 2024-09-03 — — CN disclosed
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