SCHEMBL7217525

SCHEMBL7217525

CC(C)(C)c1ccc(COC(=O)NC(CNC(=O)CN2C(=O)CN(CCCNc3nc4ccccc4[nH]3)C2=O)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 20/20 0.62
ITGA2B P08514 4/20 0.48
ITGB5 P18084 3/20 0.43
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41

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
SCHEMBL7974536 1.00 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7217620 0.93 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211544 0.92 ITGB3 (0.64) ITGB3ITGAVITGA2BITGB5
SCHEMBL7211458 0.87 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217773 0.87 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7211471 0.86 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5
SCHEMBL7212708 0.85 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7217507 0.84 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB5
SCHEMBL7974527 0.84 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217736 0.84 ITGB3 (0.56) 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-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed