SCHEMBL7969174

SCHEMBL7969174

O=C(NC(CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)O)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 15/20 1.00

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
SCHEMBL7969300 0.88 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL16348550 0.87 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL5252988 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7979147 0.85 ITGB3 (0.74) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982934 0.85 ITGB3 (0.93) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7982939 0.85 ITGB3 (0.93) ITGB3ITGAVITGA2B
SCHEMBL14271445 0.85 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL7980497 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14271413 0.83 ITGB3 (0.73) ITGB3ITGAVITGA2B
SCHEMBL5253002 0.83 ITGB3 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US claimed
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 US disclosed