SCHEMBL7301931

SCHEMBL7301931

CCOC(=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 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PARP15 Q460N3 3/20 0.36
PARP10 Q53GL7 3/20 0.36
FFAR1 O14842 1/20 0.35
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
GAA P10253 1/20 0.32
MMP3 P08254 1/20 0.32
MIF P14174 1/20 0.32
MASP2 O00187 1/20 0.32
LTA4H P09960 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
SCHEMBL7284980 0.92 ITGB3 (0.58) ITGB3ITGA2BKCNH2HRH3MASP2
SCHEMBL7284195 0.89 ITGB3 (0.57) ITGB3ITGA2BKCNH2HRH3MASP2
SCHEMBL7282312 0.88 ITGB3 (0.58) ITGB3ITGA2BKCNH2HRH3MASP2
SCHEMBL7273255 0.87 ITGB3 (0.68) ITGB3ITGA2BFFAR1KCNH2HRH3
SCHEMBL7312463 0.86 ITGB3 (0.51) ITGB3ITGA2BKCNH2HRH3MASP2
SCHEMBL7311942 0.85 ITGB3 (0.53) ITGB3ITGA2BKCNH2HRH3MASP2
SCHEMBL7311169 0.85 ITGB3 (0.71) ITGB3ITGA2BPARP15PARP10PARP2
Hydrochloric Acid SCHEMBL7439887 0.84 ITGB3 (0.70) ITGB3ITGA2BPARP15PARP10PARP2
SCHEMBL8186359 0.84 ITGB3 (0.51) ITGB3ITGA2BKCNH2HRH3MASP2
SCHEMBL7281433 0.84 ITGB3 (0.55) ITGB3ITGA2BMASP2LTA4H

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