SCHEMBL7985902

SCHEMBL7985902

Cc1cc(C)c(S(=O)(=O)NC(CNC(=O)c2cccc3c2cnn3CCCNc2ncc[nH]2)C(=O)O)c(C)c1

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 18/20 0.75

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
SCHEMBL7985881 0.95 ITGB3 (0.91) ITGB3ITGAVITGA2B
SCHEMBL7979430 0.95 ITGB3 (0.90) ITGB3ITGAVITGA2B
SCHEMBL7980498 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL7969107 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7980533 0.89 ITGB3 (0.80) ITGB3ITGAVITGA2B
SCHEMBL7985892 0.88 ITGAV (0.78) ITGB3ITGAVITGA2B
SCHEMBL7985709 0.87 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7979373 0.86 ITGAV (0.75) ITGB3ITGAVITGA2B
SCHEMBL7969198 0.85 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL4194099 0.85 ITGB3 (1.00) 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