SCHEMBL7306622

SCHEMBL7306622

CCOC(=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 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
IRAK4 Q9NWZ3 6/20 0.32
ACACB O00763 2/20 0.32
MASP2 O00187 1/20 0.30
ACACA Q13085 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL7304724 0.93 ITGB3 (0.54) ITGB3ITGA2BIRAK4HRH3
SCHEMBL7282312 0.90 ITGB3 (0.58) ITGB3ITGA2BIRAK4ACACBMASP2
SCHEMBL7284980 0.90 ITGB3 (0.58) ITGB3ITGA2BIRAK4ACACBMASP2
SCHEMBL7311942 0.89 ITGB3 (0.53) ITGB3ITGA2BIRAK4ACACBMASP2
SCHEMBL7312948 0.87 ITGB3 (0.51) ITGB3ITGA2BIRAK4ACACBMASP2
SCHEMBL7284195 0.86 ITGB3 (0.57) ITGB3ITGA2BIRAK4ACACBMASP2
SCHEMBL7310130 0.86 ITGB3 (0.50) ITGB3ITGA2BIRAK4ACACBMASP2
SCHEMBL7281433 0.85 ITGB3 (0.55) ITGB3ITGA2BMASP2
SCHEMBL7283492 0.85 ITGB3 (0.47) ITGB3ITGA2BIRAK4
SCHEMBL7283791 0.84 ITGB3 (0.57) ITGB3ITGA2BIRAK4HRH3

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 3 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 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