SCHEMBL7304612

SCHEMBL7304612

CC(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 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
MASP2 O00187 4/20 0.39
NAAA Q02083 3/20 0.35
CTSK P43235 3/20 0.34
CTSS P25774 2/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP13 P45452 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 1/20 0.32
ACACB O00763 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
SCHEMBL7305149 0.93 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAACTSK
SCHEMBL7311689 0.92 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAACTSK
SCHEMBL7314769 0.92 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAACTSK
SCHEMBL7282413 0.91 ITGB3 (0.55) ITGB3ITGA2BMASP2NAAACTSK
SCHEMBL7302459 0.91 ITGB3 (0.50) ITGB3ITGA2BMASP2NAAACTSK
SCHEMBL7305042 0.91 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAACTSK
SCHEMBL7283682 0.91 ITGB3 (0.56) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7302804 0.89 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7273446 0.89 ITGB3 (0.65) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7281936 0.89 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAACTSK

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