SCHEMBL8607451

SCHEMBL8607451

COC(=O)C[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
ATM Q13315 1/20 0.49
KLK5 Q9Y337 3/20 0.48
KLK7 P49862 1/20 0.48
PPARA Q07869 2/20 0.47
MAPT P10636 1/20 0.46
CTSS P25774 4/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.43
ACE P12821 1/20 0.43
CTRB1 P17538 2/20 0.43
PPARG P37231 1/20 0.43
CTSB P07858 1/20 0.42
REN P00797 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL18575403 0.92 SYK (0.56) SYKATMKLK5KLK7PPARA
SCHEMBL17513638 0.92 SYK (0.56) SYKATMKLK5KLK7PPARA
SCHEMBL25318929 0.92 SYK (0.56) SYKATMKLK5KLK7PPARA
SCHEMBL17207697 0.91 SYK (0.59) SYKATMKLK5KLK7PPARA
SCHEMBL3466396 0.88 SYK (0.57) SYKATMKLK5KLK7PPARA
SCHEMBL24298360 0.88 SYK (0.57) SYKATMKLK5KLK7PPARA
SCHEMBL3466395 0.88 SYK (0.57) SYKATMKLK5KLK7PPARA
SCHEMBL25907995 0.87 SYK (0.56) SYKATMKLK5KLK7PPARA
SCHEMBL31154007 0.86 SYK (0.57) SYKATMKLK5KLK7PPARA
SCHEMBL18976490 0.86 SYK (0.57) SYKATMKLK5KLK7PPARA

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-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 EP disclosed
EP-0680488-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1995-11-08 EP disclosed
WO-1994017090-A1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-08-04 WO disclosed