SCHEMBL7305149

SCHEMBL7305149

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
MASP2 O00187 2/20 0.38
NAAA Q02083 1/20 0.35
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSS P25774 7/20 0.34
CTSK P43235 7/20 0.34
CTSL P07711 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MMP13 P45452 1/20 0.33
CTSB P07858 5/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL7305042 0.98 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7304612 0.93 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7311689 0.92 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7314769 0.92 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7282413 0.92 ITGB3 (0.55) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7302459 0.92 ITGB3 (0.50) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7283682 0.91 ITGB3 (0.56) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7310130 0.90 ITGB3 (0.50) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7273446 0.90 ITGB3 (0.65) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7281936 0.89 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAMAPT

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