SCHEMBL30401081

SCHEMBL30401081

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KDM1A O60341 3/20 0.43
▸ EPHA2 P29317 1/20 0.43
▸ RAMP3 O60896 6/20 0.42
▸ CALCR P30988 6/20 0.42
▸ F2 P00734 2/20 0.42
▸ KEAP1 Q14145 2/20 0.42
▸ CALCRL Q16602 1/20 0.42
▸ NMUR2 Q9GZQ4 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM1B Q8NB78 1/20 0.41
▸ REN P00797 2/20 0.41

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
SCHEMBL30400982 0.93 MAPK8 (0.48) MAPK8MAPK9MAPK10KDM1AEPHA2
SCHEMBL30401228 0.91 KDM1A (0.55) MAPK8MAPK9MAPK10KDM1ACALCR
SCHEMBL29777850 0.90 MAPK8 (0.51) MAPK8MAPK9MAPK10KDM1ARAMP3
SCHEMBL30311227 0.90 MAPK8 (0.45) MAPK8MAPK9MAPK10KDM1AF2
SCHEMBL30311298 0.90 KDM1A (0.56) MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30311259 0.89 MAPK8 (0.46) MAPK8MAPK9MAPK10KDM1ACALCRL
SCHEMBL30936117 0.89 REN (0.44) MAPK8MAPK9MAPK10KDM1AF2
SCHEMBL30311322 0.89 KDM1A (0.52) MAPK8MAPK9MAPK10KDM1AEPHA2
SCHEMBL30401046 0.89 RAMP3 (0.48) EPHA2RAMP3CALCRF2KEAP1
Acetic Acid SCHEMBL30311513 0.89 MAPK8 (0.44) MAPK8MAPK9MAPK10KDM1AF2

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-116003529-A Polypeptide and application thereof in repairing mucous membrane injury or skin injury 四川好医生攀西药业有限责任公司 2023-04-25 — — CN disclosed
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