SCHEMBL8040936

SCHEMBL8040936

N=C(N)c1ccc(NC(=O)CCC(=O)NC(CCC(=O)O)c2ccc(O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.67
ITGA2B P08514 18/20 0.67
CYP1A1 P04798 1/20 0.52

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
SCHEMBL8031013 0.90 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7178442 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7346075 0.79 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL8040932 0.79 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL3290955 0.79 ITGB3 (0.81) ITGB3ITGA2BCYP1A1
Hydrochloric Acid SCHEMBL6983890 0.78 ITGB3 (0.78) ITGB3ITGA2BCYP1A1
SCHEMBL9558909 0.77 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL7346305 0.76 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7345475 0.76 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL20008694 0.76 ITGB3 (0.59) ITGB3ITGA2B

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-6037365-A ANTIINFLAMMATORY AND ANTIMETASTASIS AGENTS; CARDIOVASCULAR DISORDERS, ARTERIOSCLEROSIS G.D. SEARLE & CO. (US) 2000-03-14 US disclosed