SCHEMBL7304269

SCHEMBL7304269

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
IRAK4 Q9NWZ3 10/20 0.32
KDM4E B2RXH2 1/20 0.31
LTA4H P09960 1/20 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
SCHEMBL7311942 0.93 ITGB3 (0.53) ITGB3ITGA2BIRAK4
SCHEMBL7316759 0.93 ITGB3 (0.52) ITGB3ITGA2BIRAK4LTA4H
SCHEMBL7308125 0.93 ITGB3 (0.52) ITGB3ITGA2BIRAK4
SCHEMBL7302804 0.92 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7312569 0.92 ITGB3 (0.51) ITGB3ITGA2BIRAK4
SCHEMBL7304690 0.92 ITGB3 (0.53) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7277377 0.91 ITGB3 (0.47) ITGB3ITGA2BIRAK4
Lefradafiban SCHEMBL7080546 0.91 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4ELTA4H
Lefradafiban SCHEMBL50399 0.91 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4ELTA4H
SCHEMBL7309280 0.91 ITGB3 (0.51) 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 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