SCHEMBL5313552

SCHEMBL5313552

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 5/20 0.50
NMUR1 Q9HB89 5/20 0.50
CXCR4 P61073 1/20 0.50
RAMP3 O60896 6/20 0.49
CALCR P30988 6/20 0.49
PLK1 P53350 1/20 0.49
EPHA2 P29317 4/20 0.48
CAPN1 P07384 2/20 0.47

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
SCHEMBL5313550 1.00 NMUR2 (0.50) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL31031571 0.96 NMUR2 (0.51) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL5318176 0.94 CXCR4 (0.51) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL5318180 0.94 CXCR4 (0.51) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL30799261 0.93 NMUR2 (0.49) NMUR2NMUR1CXCR4EPHA2
SCHEMBL31621423 0.93 CAPN1 (0.52) CXCR4RAMP3CALCRPLK1EPHA2
SCHEMBL5311906 0.93 CXCR4 (0.46) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL5311916 0.93 CXCR4 (0.46) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL5315506 0.91 RAMP3 (0.59) NMUR2NMUR1CXCR4RAMP3CALCR
SCHEMBL5315503 0.91 RAMP3 (0.59) NMUR2NMUR1CXCR4RAMP3CALCR

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
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 WO claimed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 US claimed
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 WO disclosed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 US disclosed