SCHEMBL7277780

SCHEMBL7277780

COC(=O)C[C@@H]1C[C@@H](CN)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
BRD4 O60885 1/20 0.36
MIF P14174 1/20 0.35
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 1/20 0.32
IRAK4 Q9NWZ3 4/20 0.31
KDM4E B2RXH2 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
SCHEMBL7275658 0.86 GAA (0.42) GAAITGB3ITGA2BBRD4MIF
SCHEMBL7275480 0.79 GAA (0.37) GAAITGB3ITGA2BBRD4HTT
Hydrochloric Acid SCHEMBL7281221 0.74 ITGB3 (0.57) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL5533516 0.73 GAA (0.33) GAAITGB3ITGA2BIRAK4
SCHEMBL5533509 0.73 GAA (0.33) GAAITGB3ITGA2BIRAK4
SCHEMBL5533521 0.73 GAA (0.33) GAAITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7274849 0.72 ITGB3 (0.55) ITGB3ITGA2BIRAK4KDM4E
SCHEMBL7283083 0.70 ITGB3 (0.56) ITGB3ITGA2BKMT2AIRAK4KDM4E
SCHEMBL7282562 0.70 ITGB3 (0.56) ITGB3ITGA2BKMT2AIRAK4KDM4E
SCHEMBL7283424 0.70 TDP1 (0.36) GAAITGB3ITGA2BL3MBTL1USP2

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-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed