SCHEMBL30844403

SCHEMBL30844403

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 10/20 0.49
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ NRP1 O14786 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ XIAP P98170 1/20 0.41
▸ GRB2 P62993 1/20 0.40
▸ F2 P00734 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
SCHEMBL30844395 0.93 REN (0.49) RENMAPK8MAPK9MAPK10GRB2
SCHEMBL30311256 0.93 REN (0.49) RENMAPK8MAPK9MAPK10
SCHEMBL30844293 0.93 REN (0.49) RENMAPK8MAPK9MAPK10GRB2
SCHEMBL29801982 0.93 REN (0.48) RENNRP1F2
SCHEMBL30311246 0.91 REN (0.50) RENMAPK8MAPK9MAPK10
SCHEMBL30844402 0.90 REN (0.50) RENMAPK8MAPK9MAPK10
SCHEMBL30311308 0.89 REN (0.54) RENMAPK8MAPK9MAPK10
SCHEMBL29801948 0.89 REN (0.47) REN
SCHEMBL29777729 0.88 REN (0.48) RENGRB2F2
SCHEMBL29801925 0.87 REN (0.45) RENNRP1GRB2F2

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-117858890-A Polypeptide compound and application thereof in treating enteritis 四川好医生攀西药业有限责任公司 2024-04-09 — — CN disclosed
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