SCHEMBL8625484

SCHEMBL8625484

CC(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.54
STAT3 P40763 1/20 0.48
CTSB P07858 1/20 0.47
SLC6A2 P23975 1/20 0.46
NTSR1 P30989 10/20 0.45
NTSR2 O95665 9/20 0.45
SORT1 Q99523 9/20 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
SCHEMBL8625474 0.94 CAPN1 (0.53) CAPN1CTSBSLC6A2NTSR1NTSR2
SCHEMBL8627859 0.93 STAT3 (0.48) CAPN1STAT3SLC6A2NTSR1NTSR2
SCHEMBL8626724 0.93 STAT3 (0.48) CAPN1STAT3SLC6A2NTSR1NTSR2
SCHEMBL8626712 0.89 SLC6A2 (0.49) CAPN1STAT3SLC6A2NTSR1NTSR2
SCHEMBL8627850 0.89 SLC6A2 (0.49) CAPN1STAT3SLC6A2NTSR1NTSR2
SCHEMBL30123407 0.89 CAPN1 (0.53) CAPN1STAT3CTSBSLC6A2NTSR1
SCHEMBL30341674 0.88 SLC6A2 (0.48) CAPN1STAT3SLC6A2NTSR1NTSR2
SCHEMBL29876433 0.87 CAPN1 (0.52) CAPN1STAT3CTSBSLC6A2NTSR1
SCHEMBL30185028 0.86 CAPN1 (0.47) CAPN1STAT3CTSBSLC6A2NTSR1
SCHEMBL30853509 0.86 CAPN1 (0.47) CAPN1STAT3NTSR1NTSR2SORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786205-A ISOLATED PURIFIED DNA ENCODING A POLYPEPTIDE BACTERICIDE FOR TREATING GRAMPOSITIVE BACTERIA INFECTION THE ROCKEFELLER UNIVERSITY (US) 1998-07-28 US disclosed
US-5616686-A INCLUDING A SEQUENCE OF AMINO ACIDS CORRESPONDING TO THAT RESPONSIBLE FOR ANCHORING A VIRULENCE DETERMINANT PROTEIN TO THE SURFACE OF A GRAMPOSITIVE COCCAL BACTERIA THE ROCKEFELLER UNIVERSITY (US) 1997-04-01 US disclosed