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SCHEMBL8936975

SCHEMBL8936975

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(=O)O)C(C)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ REN P00797 12/20 0.48
▸ KDM1A O60341 3/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ CAPN1 P07384 2/20 0.45
▸ MAOB P27338 1/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM1B Q8NB78 1/20 0.44

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
SCHEMBL8936981 1.00 MAPK8 (0.48) MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL8937022 0.88 CAPN1 (0.49) CAPN1
SCHEMBL8937016 0.88 CAPN1 (0.49) CAPN1
SCHEMBL30525421 0.88 CAPN1 (0.50) CAPN1
SCHEMBL38663940 0.87 REN (0.56) MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL30067104 0.86 PTPN1 (0.48) CAPN1
SCHEMBL30199670 0.86 MAPK8 (0.46) MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL29607747 0.85 REN (0.54) MAPK8MAPK9MAPK10RENCAPN1
SCHEMBL30666371 0.84 CAPN1 (0.53) CAPN1
SCHEMBL30020318 0.84 MAPK8 (0.53) MAPK8MAPK9MAPK10RENKDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 — — EP claimed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 — — EP claimed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 — — WO claimed
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