SCHEMBL7304724

SCHEMBL7304724

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OC(C)OC(C)=O)cc3)cc2)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
IRAK4 Q9NWZ3 8/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30

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
SCHEMBL7306622 0.93 ITGB3 (0.51) ITGB3ITGA2BIRAK4HRH3
SCHEMBL7283492 0.92 ITGB3 (0.47) ITGB3ITGA2BIRAK4
SCHEMBL7283791 0.91 ITGB3 (0.57) ITGB3ITGA2BIRAK4KDM4EKMT2A
Lefradafiban SCHEMBL50399 0.90 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4EHRH3
Lefradafiban SCHEMBL7080546 0.90 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7304269 0.87 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7284983 0.87 ITGB3 (0.58) ITGB3ITGA2BIRAK4KMT2AHRH3
SCHEMBL7281873 0.86 ITGB3 (0.55) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7284195 0.86 ITGB3 (0.57) ITGB3ITGA2BIRAK4KDM4EKMT2A
SCHEMBL7310130 0.86 ITGB3 (0.50) ITGB3ITGA2BIRAK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP claimed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US claimed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP claimed
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed