SCHEMBL7305042

SCHEMBL7305042

CC(=O)OCOC(=O)NC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OCc4ccccc4)C(=O)N3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.51
ITGA2B P08514 3/20 0.51
MASP2 O00187 3/20 0.36
GLA P06280 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MMP13 P45452 1/20 0.33
NAAA Q02083 1/20 0.33
MAOB P27338 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.32
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
CTSL P07711 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSB P07858 2/20 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
SCHEMBL7305149 0.98 ITGB3 (0.52) ITGB3ITGA2BMASP2IRAK4MMP13
SCHEMBL7283682 0.92 ITGB3 (0.56) ITGB3ITGA2BMASP2GLAIRAK4
SCHEMBL7304612 0.91 ITGB3 (0.51) ITGB3ITGA2BMASP2MMP13NAAA
SCHEMBL7311689 0.90 ITGB3 (0.51) ITGB3ITGA2BMASP2IRAK4MMP13
SCHEMBL7314769 0.90 ITGB3 (0.52) ITGB3ITGA2BMASP2GLAMMP13
SCHEMBL7282413 0.90 ITGB3 (0.55) ITGB3ITGA2BMASP2IRAK4MMP13
SCHEMBL7311942 0.90 ITGB3 (0.53) ITGB3ITGA2BMASP2IRAK4KMT2A
SCHEMBL7304269 0.90 ITGB3 (0.54) ITGB3ITGA2BIRAK4
SCHEMBL7302459 0.90 ITGB3 (0.50) ITGB3ITGA2BMASP2MMP13NAAA
SCHEMBL7316759 0.89 ITGB3 (0.52) ITGB3ITGA2BMASP2IRAK4NAAA

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