SCHEMBL13231063

SCHEMBL13231063

O=C(CCCNC1=NCCN1)NCCNC(=O)OC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.59
ITGAV P06756 16/20 0.59
ITGA2B P08514 5/20 0.49
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
FOLH1 Q04609 1/20 0.44
HTT P42858 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
ITGB5 P18084 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
SCHEMBL13059982 0.90 ITGB3 (0.63) ITGB3ITGAVITGA2BCAPN1CAPN2
SCHEMBL243035 0.81 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5
SCHEMBL5755977 0.77 ITGB3 (0.60) ITGB3ITGAVITGA2BMALT1ITGB5
SCHEMBL8552051 0.75 ITGB3 (0.62) ITGB3ITGAVITGA2BMALT1
SCHEMBL7404187 0.75 ITGB3 (0.62) ITGB3ITGAVITGA2BMALT1
SCHEMBL7400967 0.75 ITGB3 (0.59) ITGB3ITGAVITGA2BMALT1
SCHEMBL8643210 0.74 ITGB3 (0.59) ITGB3ITGAVITGA2BMALT1
SCHEMBL8547845 0.74 ITGB3 (0.52) ITGB3ITGAVITGA2BMALT1
Iodide SCHEMBL7403601 0.74 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5
SCHEMBL6111422 0.74 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5

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-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed