SCHEMBL7302459

SCHEMBL7302459

CC(C)(C)C(=O)OCOC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.50
ITGA2B P08514 8/20 0.50
MASP2 O00187 2/20 0.37
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
NAAA Q02083 4/20 0.34
ITGAV P06756 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
MMP13 P45452 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL7277659 0.92 ITGB3 (0.44) ITGB3ITGA2BMASP2PRKCAPRKCD
SCHEMBL7305149 0.92 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7304612 0.91 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7313827 0.91 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7311689 0.90 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7314769 0.90 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAITGAV
SCHEMBL7281936 0.90 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAITGAV
SCHEMBL7312463 0.90 ITGB3 (0.51) ITGB3ITGA2BMASP2
SCHEMBL7282413 0.90 ITGB3 (0.55) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7310500 0.90 ITGB3 (0.39) ITGB3ITGA2BMASP2NAAA

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