Sugi Predict

Sugi Predict / Compounds / SCHEMBL7746278

SCHEMBL7746278

SCHEMBL7746278

O=C(O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCNC(=O)NCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)c2ccc(N/N=C/c3ccccc3S(=O)(=O)O)nc2)NC(=O)[C@@H](Cc2ccccc2)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.43
▸ ITGAV P06756 15/20 0.43
▸ ITGB5 P18084 11/20 0.43
▸ ITGB1 P05556 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ ITGA2B P08514 5/20 0.39

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
SCHEMBL7744338 0.94 ITGB3 (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7746130 0.93 MC4R (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7746015 0.93 MC4R (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585806 0.93 MC4R (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7743862 0.93 MC4R (0.44) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585812 0.91 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7744465 0.91 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14615652 0.91 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL7738586 0.91 ITGB3 (0.40) ITGB3ITGAVITGB5ITGB1ITGA5
SCHEMBL14585821 0.90 ITGB3 (0.43) ITGB3ITGAVITGB5ITGB1ITGA5

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-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 — — US disclosed
US-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 — — US disclosed
Send feedback