SCHEMBL8689455

SCHEMBL8689455

CC(=O)OC[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.47
ITGA2B P08514 18/20 0.47
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39

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
SCHEMBL8690536 0.85 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8690529 0.84 ITGB3 (0.52) ITGB3ITGA2BF2PRSS1F10
SCHEMBL7274876 0.82 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL5820899 0.79 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL8648337 0.78 ITGB3 (0.65) ITGB3ITGA2BF2PRSS1F10
SCHEMBL8643931 0.72 ITGB3 (0.55) ITGB3ITGA2B
SCHEMBL6099288 0.72 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL8379225 0.72 ITGB3 (0.48) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8379209 0.72 ITGB3 (0.48) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8020868 0.70 ITGB3 (0.75) ITGB3ITGA2BF2PRSS1PRSS2

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-5747522-A ANTICOAGULANTS; ANTIINFLAMMATORY AGENTS; ANTITUMOR AGENTS HOFFMAN-LA ROCHE INC. (US) 1998-05-05 US disclosed
US-5670515-A TREATMENT OF THROMBOSIS, STROKE, CARDIAC INFARCT, INFLAMMATION, AND ARTERIOSCLEROSIS; ANTITUMOR AGENTS, WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed