SCHEMBL30311519

SCHEMBL30311519

CC(C)C[C@H](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](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ KDM1A O60341 3/20 0.55
▸ EPHA2 P29317 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ KDM5A P29375 1/20 0.50
▸ KDM1B Q8NB78 1/20 0.50
▸ RAMP3 O60896 13/20 0.50
▸ CALCR P30988 13/20 0.50
▸ REN P00797 1/20 0.47

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
SCHEMBL30311307 0.95 KDM1A (0.60) MAPK8MAPK9MAPK10KDM1AEPHA2
Acetic Acid SCHEMBL30408714 0.94 KDM1A (0.59) MAPK8MAPK9MAPK10KDM1AEPHA2
SCHEMBL30311126 0.91 REN (0.53) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30771413 0.90 REN (0.53) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30400291 0.90 REN (0.53) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844399 0.90 KDM1A (0.56) MAPK8MAPK9MAPK10KDM1AEPHA2
Acetic Acid SCHEMBL30311266 0.90 REN (0.52) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30402079 0.90 REN (0.53) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30311123 0.89 KDM1A (0.55) MAPK8MAPK9MAPK10KDM1AMAOB
SCHEMBL30844398 0.89 MAPK8 (0.54) MAPK8MAPK9MAPK10KDM1AEPHA2

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
EP-4177259-A1 POLYPEPTIDE FOR REPAIRING MUCOSAL DAMAGE OR SKIN WOUND AND USE THEREOF Sichuan Gooddoctor Panxi Pharmaceutical Co. Ltd (CN) 2023-05-10 — — EP disclosed
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