SCHEMBL8552072

SCHEMBL8552072

COC(=O)C(CN(OCCCNC(=O)OC(C)(C)C)C(=O)c1ccno1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
SYK P43405 1/20 0.44
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
SIRT3 Q9NTG7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RECQL P46063 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8547845 0.79 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL7425992 0.77 SYK (0.58) MAPTSYKPOLBMAPK1KLK7
SCHEMBL7424195 0.77 SYK (0.58) MAPTSYKPOLBMAPK1KLK7
SCHEMBL21900169 0.76 SIRT2 (0.60) MAPTSYKKLK7KLK5SIRT2
SCHEMBL19295560 0.76 SIRT2 (0.60) MAPTSYKKLK7KLK5SIRT2
SCHEMBL21900170 0.76 SIRT2 (0.60) MAPTSYKKLK7KLK5SIRT2
SCHEMBL13430768 0.76 SIRT2 (0.64) MAPTSYKKLK7KLK5SIRT2
SCHEMBL30043940 0.76 SIRT2 (0.64) MAPTSYKKLK7KLK5SIRT2
SCHEMBL7406992 0.75 SYK (0.49) MAPTSYKPOLBMAPK1KLK7
SCHEMBL14561127 0.74 SYK (0.61) MAPTSYKKLK7KLK5SIRT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 EP disclosed