SCHEMBL7281873

SCHEMBL7281873

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
MASP2 O00187 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
IRAK4 Q9NWZ3 8/20 0.34
NR1H4 Q96RI1 1/20 0.32
RARB P10826 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
LTA4H P09960 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
SCHEMBL7285147 0.93 ITGB3 (0.49) ITGB3ITGA2BMASP2FFAR4IRAK4
Lefradafiban SCHEMBL50399 0.92 ITGB3 (0.62) ITGB3ITGA2BMASP2FFAR4IRAK4
Lefradafiban SCHEMBL7080546 0.92 ITGB3 (0.62) ITGB3ITGA2BMASP2FFAR4IRAK4
SCHEMBL7284195 0.91 ITGB3 (0.57) ITGB3ITGA2BMASP2IRAK4KDM4E
SCHEMBL7302804 0.90 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4EHRH3
SCHEMBL7283791 0.90 ITGB3 (0.57) ITGB3ITGA2BFFAR4IRAK4KDM4E
SCHEMBL7312569 0.89 ITGB3 (0.51) ITGB3ITGA2BMASP2FFAR4IRAK4
SCHEMBL7304269 0.89 ITGB3 (0.54) ITGB3ITGA2BIRAK4KDM4ELTA4H
SCHEMBL7282413 0.87 ITGB3 (0.55) ITGB3ITGA2BMASP2IRAK4
SCHEMBL7304690 0.87 ITGB3 (0.53) ITGB3ITGA2BIRAK4KDM4E

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