SCHEMBL6045787

SCHEMBL6045787

NCCCC[C@@H](C(=O)O)N(CC(=O)O)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.41
FOLH1 Q04609 1/20 0.32
ITGB3 P05106 4/20 0.32
ITGA2B P08514 4/20 0.32
CPB1 P15086 1/20 0.30
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL9717100 0.87 SLC15A2 (0.43) SLC15A2FOLH1ITGB3ITGA2BCPB1
SCHEMBL6256586 0.84 GSR (0.34) ITGB3ITGA2BCPB1CPB2
SCHEMBL6729163 0.80 ITGB3 (0.41) SLC15A2ITGB3ITGA2BCPB2
SCHEMBL9614985 0.79 SLC15A2 (0.38) SLC15A2
SCHEMBL5598418 0.79 SLC15A2 (0.64) SLC15A2FOLH1ITGB3ITGA2B
SCHEMBL3948446 0.79 SLC15A2 (0.59) SLC15A2FOLH1ITGB3ITGA2B
SCHEMBL3948444 0.79 SLC15A2 (0.59) SLC15A2FOLH1ITGB3ITGA2B
SCHEMBL259084 0.79 SLC15A2 (0.64) SLC15A2FOLH1ITGB3ITGA2B
SCHEMBL10595108 0.79 SLC15A2 (0.64) SLC15A2FOLH1ITGB3ITGA2B
Lysine SCHEMBL28465641 0.79 SLC15A2 (0.48) SLC15A2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258589-A1 Methods for enhancing radiation therapy IGF ONCOLOGY, LLC (US) 2006-11-16 US disclosed