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Sugi Predict / Compounds / SCHEMBL7165470

SCHEMBL7165470

SCHEMBL7165470

COC(=O)CC1Nc2ccc(C(=O)N(Cc3ccccc3)Cc3ncc[nH]3)cc2CN(CCCNC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN2CCN(CCC(=O)OC(C)(C)C)CCN(CCC(=O)OC(C)(C)C)CCN(CCC(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.37
▸ ITGAV P06756 16/20 0.37
▸ ITGA2B P08514 6/20 0.37

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
SCHEMBL5972656 0.98 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL7254424 0.94 ITGB3 (0.36) ITGB3ITGAVITGA2B
SCHEMBL5977658 0.92 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL5972921 0.92 ITGB3 (0.39) ITGB3ITGAVITGA2B
SCHEMBL5972525 0.89 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL5973057 0.84 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL5972945 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2B
SCHEMBL5972886 0.81 ITGB3 (0.45) ITGB3ITGAVITGA2B
SCHEMBL5972483 0.79 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL5972537 0.75 ITGB3 (0.53) ITGB3ITGAVITGA2B

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-6558649-B1 Benzodiazepine nonpeptide targeting moiety bound to chelating group; diagnosis and treatment of cancer; imaging tumors; monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-06 — — US disclosed
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