SCHEMBL8039403

SCHEMBL8039403

CC(C)(C(=O)NC(=N)N)n1nc2ccc(C(=O)NCC(NC(=O)OCc3ccccc3)C(=O)O)cn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.41
ITGAV P06756 17/20 0.41
ITGA2B P08514 6/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL6481534 0.85 ITGB3 (0.43) ITGB3ITGAVITGA2BPPARGPPARA
SCHEMBL6474022 0.84 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL6485142 0.82 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL6481139 0.81 SYK (0.38) ITGB3ITGAVITGA2B
SCHEMBL6481186 0.80 ITGB3 (0.37) ITGB3ITGAVITGA2B
SCHEMBL6480964 0.79 ITGB3 (0.38) ITGB3ITGAVITGA2B
SCHEMBL6474654 0.78 ITGB3 (0.43) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL6474857 0.76 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6476022 0.75 ITGB3 (0.46) ITGB3ITGAVITGA2BEGLN2EGLN1
SCHEMBL8507891 0.74 ITGB3 (0.54) ITGB3ITGAVITGA2BPPARGPPARA

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-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 US disclosed