SCHEMBL8937016

SCHEMBL8937016

CCC(C)C(NC(=O)C(N)CCC(=O)O)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 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.49
▸ CALCRL Q16602 2/20 0.48
▸ NTSR2 O95665 14/20 0.47
▸ NTSR1 P30989 14/20 0.47
▸ SORT1 Q99523 12/20 0.47
▸ XIAP P98170 1/20 0.45

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
SCHEMBL8937022 1.00 CAPN1 (0.49) CAPN1CALCRLNTSR2NTSR1SORT1
SCHEMBL30525421 0.97 CAPN1 (0.50) CAPN1NTSR2NTSR1SORT1
SCHEMBL30067143 0.94 NTSR2 (0.51) NTSR2NTSR1SORT1
SCHEMBL30666371 0.90 CAPN1 (0.53) CAPN1CALCRLNTSR2NTSR1XIAP
SCHEMBL30603414 0.89 XIAP (0.52) NTSR2NTSR1SORT1XIAP
SCHEMBL30067104 0.88 PTPN1 (0.48) CAPN1CALCRLNTSR2NTSR1
SCHEMBL30525445 0.88 CAPN1 (0.53) CAPN1CALCRLXIAP
SCHEMBL8936981 0.88 MAPK8 (0.48) CAPN1
SCHEMBL8936975 0.88 MAPK8 (0.48) CAPN1
SCHEMBL31183007 0.87 CAPN1 (0.51) CAPN1CALCRLNTSR2NTSR1

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 4 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
WO-1993002708-A1 NOVEL REAGENT FOR TUMOUR IMAGING AND THERAPY ANTISOMA LIMITED (GB) 1993-02-18 — — WO disclosed
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