SCHEMBL8625474

SCHEMBL8625474

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(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.53
SLC6A2 P23975 1/20 0.47
RAMP3 O60896 6/20 0.46
CALCR P30988 6/20 0.46
CTSB P07858 1/20 0.46
NTSR2 O95665 7/20 0.44
NTSR1 P30989 7/20 0.44
SORT1 Q99523 7/20 0.44
CALCRL Q16602 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
SCHEMBL8626712 0.95 SLC6A2 (0.49) CAPN1SLC6A2RAMP3CALCRNTSR2
SCHEMBL8627850 0.95 SLC6A2 (0.49) CAPN1SLC6A2RAMP3CALCRNTSR2
SCHEMBL8625484 0.94 CAPN1 (0.54) CAPN1SLC6A2CTSBNTSR2NTSR1
SCHEMBL8626724 0.92 STAT3 (0.48) CAPN1SLC6A2RAMP3CALCRNTSR2
SCHEMBL8627859 0.92 STAT3 (0.48) CAPN1SLC6A2RAMP3CALCRNTSR2
SCHEMBL30585207 0.91 CALCRL (0.46) CAPN1SLC6A2RAMP3CALCRCTSB
SCHEMBL29498765 0.91 CAPN1 (0.48) CAPN1SLC6A2CTSBNTSR2NTSR1
SCHEMBL8624746 0.90 RAMP3 (0.51) CAPN1RAMP3CALCR
SCHEMBL31031558 0.90 CAPN1 (0.50) CAPN1RAMP3CALCRCTSBNTSR2
SCHEMBL8624738 0.90 RAMP3 (0.51) CAPN1RAMP3CALCR

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