SCHEMBL7283791

SCHEMBL7283791

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OC(C)C)cc3)cc2)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
KMT2A Q03164 1/20 0.36
IRAK4 Q9NWZ3 8/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
FFAR4 Q5NUL3 3/20 0.33
HRH3 Q9Y5N1 3/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL7284983 0.94 ITGB3 (0.58) ITGB3ITGA2BKMT2AIRAK4MAPT
Lefradafiban SCHEMBL7080546 0.94 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4EMAPT
Lefradafiban SCHEMBL50399 0.94 ITGB3 (0.62) ITGB3ITGA2BIRAK4KDM4EMAPT
SCHEMBL7304724 0.91 ITGB3 (0.54) ITGB3ITGA2BKMT2AIRAK4KDM4E
SCHEMBL7281873 0.90 ITGB3 (0.55) ITGB3ITGA2BIRAK4KDM4EFFAR4
SCHEMBL7284195 0.89 ITGB3 (0.57) ITGB3ITGA2BKMT2AIRAK4KDM4E
SCHEMBL7302804 0.88 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7304269 0.87 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7275650 0.87 ITGB3 (0.63) ITGB3ITGA2BIRAK4KDM4EMAPT
SCHEMBL7308125 0.87 ITGB3 (0.52) ITGB3ITGA2BKMT2AIRAK4MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US 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