SCHEMBL8936994

SCHEMBL8936994

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ MAOB P27338 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM1B Q8NB78 1/20 0.42
▸ REN P00797 6/20 0.41
▸ EPHA2 P29317 2/20 0.41
▸ NMUR2 Q9GZQ4 2/20 0.39
▸ NMUR1 Q9HB89 2/20 0.39
▸ KEAP1 Q14145 1/20 0.38

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
SCHEMBL8936988 1.00 KDM1A (0.44) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL10336152 0.99 KDM1A (0.45) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL10336157 0.99 KDM1A (0.45) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL6384984 0.86 MAPK8 (0.41) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL6384987 0.86 MAPK8 (0.41) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30666383 0.86 KDM1A (0.55) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL38655084 0.85 BDKRB2 (0.43) KDM1AMAPK8MAPK9MAPK10EPHA2
SCHEMBL30925880 0.85 MAPK8 (0.47) KDM1AMAPK8MAPK9MAPK10NMUR2
SCHEMBL30925881 0.85 MAPK8 (0.47) KDM1AMAPK8MAPK9MAPK10NMUR2
SCHEMBL8937029 0.85 EPHA2 (0.45) EPHA2NMUR2NMUR1

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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