SCHEMBL7308669

SCHEMBL7308669

COC(=O)NC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OC4CCCC4)C(=O)N3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
LTA4H P09960 3/20 0.34
HRH3 Q9Y5N1 5/20 0.33
ALDH1A1 P00352 2/20 0.32
PARP15 Q460N3 2/20 0.31
PARP10 Q53GL7 2/20 0.31
POLB P06746 1/20 0.31
CACNA1B Q00975 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL7310784 0.99 ITGB3 (0.54) ITGB3ITGA2BLTA4HHRH3ALDH1A1
SCHEMBL7314678 0.99 ITGB3 (0.54) ITGB3ITGA2BLTA4HHRH3ALDH1A1
SCHEMBL7310413 0.99 ITGB3 (0.54) ITGB3ITGA2BLTA4HHRH3ALDH1A1
SCHEMBL7312611 0.91 ITGB3 (0.49) ITGB3ITGA2BLTA4H
SCHEMBL7286717 0.91 ITGB3 (0.47) ITGB3ITGA2BMAPT
Lefradafiban SCHEMBL7080546 0.90 ITGB3 (0.62) ITGB3ITGA2BLTA4HHRH3IRAK4
Lefradafiban SCHEMBL50399 0.90 ITGB3 (0.62) ITGB3ITGA2BLTA4HHRH3IRAK4
SCHEMBL7314181 0.90 ITGB3 (0.49) ITGB3ITGA2BLTA4HHRH3
SCHEMBL7284983 0.87 ITGB3 (0.58) ITGB3ITGA2BHRH3ALDH1A1IRAK4
SCHEMBL7282312 0.87 ITGB3 (0.58) ITGB3ITGA2BLTA4HHRH3IRAK4

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