SCHEMBL7305795

SCHEMBL7305795

CCOC(=O)OC(C)OC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)N(C(C)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 5/20 0.39
ACACB O00763 1/20 0.34
CTSK P43235 4/20 0.34
CTSS P25774 2/20 0.34
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
PPARG P37231 1/20 0.32
ITGA4 P13612 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
TAOK3 Q9H2K8 1/20 0.32

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
SCHEMBL7305157 0.94 MASP2 (0.37) MASP2CTSKCTSSLMNAKDM4E
SCHEMBL7311085 0.90 MASP2 (0.37) MASP2ACACBCTSKCTSSLMNA
Hydrochloric Acid SCHEMBL7312430 0.84 ITGB3 (0.38) ACACBITGB3ITGA2B
SCHEMBL7314657 0.81 ITGB3 (0.48) MASP2ACACBCTSKCTSSLMNA
Hydrochloric Acid SCHEMBL7311637 0.80 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL9568160 0.79 YAP1 (0.41) MASP2LMNABCHEACHECACNA1F
SCHEMBL9568161 0.78 BCHE (0.46) MASP2BCHEACHECACNA1FCACNA1D
SCHEMBL7316413 0.75 ITGB3 (0.47) MASP2ACACBCTSKCTSSITGB3
SCHEMBL7303107 0.75 ITGB3 (0.46) MASP2CTSKCTSSITGB3ITGA2B
SCHEMBL7310281 0.74 ITGB3 (0.47) MASP2ACACBCTSKCTSSITGB3

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
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