SCHEMBL7316413

SCHEMBL7316413

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
MASP2 O00187 5/20 0.36
NAAA Q02083 2/20 0.35
ASAH1 Q13510 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
CAPN2 P17655 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL7303107 0.97 ITGB3 (0.46) ITGB3ITGA2BMASP2NAAAASAH1
SCHEMBL7314657 0.94 ITGB3 (0.48) ITGB3ITGA2BMASP2NAAAASAH1
SCHEMBL7310281 0.92 ITGB3 (0.47) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7313594 0.92 ITGB3 (0.49) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7312817 0.92 ITGB3 (0.50) ITGB3ITGA2BMASP2NAAAASAH1
SCHEMBL7315002 0.92 ITGB3 (0.48) ITGB3ITGA2BMASP2NAAACTSS
SCHEMBL7310130 0.91 ITGB3 (0.50) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL9095585 0.89 ITGB3 (0.49) ITGB3ITGA2BMASP2NAAAASAH1
SCHEMBL7313815 0.89 ITGB3 (0.45) ITGB3ITGA2BMASP2NAAACTSS
SCHEMBL7306502 0.89 ITGB3 (0.45) ITGB3ITGA2BMASP2NAAACTSS

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