SCHEMBL8936972

SCHEMBL8936972

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 5/20 0.47
▸ CAPN1 P07384 2/20 0.46
▸ KEAP1 Q14145 1/20 0.44
▸ CTSD P07339 3/20 0.44
▸ BACE1 P56817 3/20 0.44
▸ NMUR2 Q9GZQ4 3/20 0.44
▸ NTSR2 O95665 2/20 0.44
▸ NTSR1 P30989 2/20 0.44
▸ CALCRL Q16602 1/20 0.44
▸ NMUR1 Q9HB89 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43
▸ CTSE P14091 1/20 0.43

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
SCHEMBL31410876 0.89 CALCRL (0.49) CAPN1KEAP1CTSDBACE1NTSR2
SCHEMBL30532203 0.88 CALCRL (0.45) CAPN1KEAP1CTSDBACE1NTSR2
SCHEMBL29983307 0.88 ACE (0.44) CAPN1NMUR2NTSR2NTSR1
SCHEMBL30072960 0.87 CAPN1 (0.48) STAT3CAPN1NTSR2NTSR1
SCHEMBL30434738 0.86 NTSR2 (0.46) CAPN1NMUR2NTSR2NTSR1
SCHEMBL29641778 0.85 XIAP (0.47) STAT3NTSR2NTSR1CALCRL
SCHEMBL30401176 0.85 SLC6A2 (0.49) CAPN1NTSR2NTSR1CALCRL
SCHEMBL30444754 0.85 GRB2 (0.44) STAT3CAPN1CTSDBACE1NMUR2
SCHEMBL31183007 0.85 CAPN1 (0.51) STAT3CAPN1KEAP1CTSDBACE1
SCHEMBL30853505 0.84 GRB2 (0.55) STAT3CAPN1CTSDBACE1NMUR2

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 5 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
EP-0366728-A1 POLYPEPTIDES WITH FIBRONECTIN ACTIVITY. UNIV MINNESOTA (US) 1990-05-09 — — EP disclosed
WO-1989001942-A1 POLYPEPTIDES WITH FIBRONECTIN ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-03-09 — — WO disclosed
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