SCHEMBL7284255

SCHEMBL7284255

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
RARB P10826 4/20 0.38
MIF P14174 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
MASP2 O00187 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL7282312 0.93 ITGB3 (0.58) ITGB3ITGA2BMASP2
SCHEMBL8181277 0.93 ITGB3 (0.52) ITGB3ITGA2BRARBSPHK1MASP2
SCHEMBL8186359 0.92 ITGB3 (0.51) ITGB3ITGA2BRARBSPHK1MASP2
Lefradafiban SCHEMBL50399 0.91 ITGB3 (0.62) ITGB3ITGA2BMIFMASP2
Lefradafiban SCHEMBL7080546 0.91 ITGB3 (0.62) ITGB3ITGA2BMIFMASP2
SCHEMBL7284980 0.89 ITGB3 (0.58) ITGB3ITGA2BMASP2MAPK1SMN1; SMN2
SCHEMBL7284195 0.89 ITGB3 (0.57) ITGB3ITGA2BMASP2MAPK1SMN1; SMN2
SCHEMBL9095585 0.88 ITGB3 (0.49) ITGB3ITGA2BRARBMASP2
SCHEMBL7284983 0.88 ITGB3 (0.58) ITGB3ITGA2BMASP2
SCHEMBL7316759 0.88 ITGB3 (0.52) ITGB3ITGA2BRARBSPHK1MASP2

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP 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