SCHEMBL7312948

SCHEMBL7312948

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
ACACB O00763 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MASP2 O00187 1/20 0.30
IRAK4 Q9NWZ3 3/20 0.30
ACACA Q13085 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KMT2A Q03164 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
SCHEMBL7314657 0.91 ITGB3 (0.48) ITGB3ITGA2BACACBMASP2
SCHEMBL7282312 0.90 ITGB3 (0.58) ITGB3ITGA2BACACBKDM4EMASP2
SCHEMBL7311016 0.90 ITGB3 (0.66) ITGB3ITGA2BIRAK4
SCHEMBL7284983 0.88 ITGB3 (0.58) ITGB3ITGA2BMASP2IRAK4HRH3
SCHEMBL7314181 0.88 ITGB3 (0.49) ITGB3ITGA2BKDM4EHRH3KMT2A
SCHEMBL7284195 0.88 ITGB3 (0.57) ITGB3ITGA2BACACBKDM4EMASP2
SCHEMBL7306622 0.87 ITGB3 (0.51) ITGB3ITGA2BACACBMASP2IRAK4
SCHEMBL7284980 0.87 ITGB3 (0.58) ITGB3ITGA2BACACBMASP2IRAK4
Lefradafiban SCHEMBL50399 0.86 ITGB3 (0.62) ITGB3ITGA2BKDM4EMASP2IRAK4
Lefradafiban SCHEMBL7080546 0.86 ITGB3 (0.62) ITGB3ITGA2BKDM4EMASP2IRAK4

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 2 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
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