SCHEMBL7273446

SCHEMBL7273446

N=C(NC(=O)OCc1ccccc1)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.65
ITGA2B P08514 5/20 0.65
MASP2 O00187 2/20 0.40
NAAA Q02083 1/20 0.39
MMP13 P45452 1/20 0.36
PPARD Q03181 2/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
IDO1 P14902 3/20 0.35
TDO2 P48775 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ITGAV P06756 1/20 0.35
CASP1 P29466 1/20 0.35
KLK8 O60259 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL7282413 0.93 ITGB3 (0.55) ITGB3ITGA2BMASP2NAAAMMP13
SCHEMBL7283894 0.91 ITGB3 (0.56) ITGB3ITGA2BMASP2NAAAMMP13
SCHEMBL7283682 0.90 ITGB3 (0.56) ITGB3ITGA2BMASP2NAAAMMP13
SCHEMBL7314769 0.90 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAMMP13
SCHEMBL7305149 0.90 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAMMP13
SCHEMBL7281936 0.90 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAMAPT
SCHEMBL7304612 0.89 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMMP13
SCHEMBL7273255 0.89 ITGB3 (0.68) ITGB3ITGA2BMASP2PPARDFFAR1
SCHEMBL7285046 0.88 ITGB3 (0.73) ITGB3ITGA2BMASP2PPARDFFAR1
SCHEMBL7311689 0.88 ITGB3 (0.51) ITGB3ITGA2BMASP2NAAAMMP13

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 7 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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 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
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed