SCHEMBL27619942

SCHEMBL27619942

CN(C)CC(CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.70
▸ ATM Q13315 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ CTSS P25774 4/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ CTRB1 P17538 2/20 0.45
▸ CTSK P43235 4/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSB P07858 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ APP P05067 1/20 0.44

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
SCHEMBL14497036 1.00 SYK (0.70) SYKATMMAPTCTSSPPARA
SCHEMBL14497010 0.90 SYK (0.66) SYKATMMAPTCTSSPPARA
SCHEMBL30489620 0.87 SYK (0.74) SYKATMMAPTCTSSPPARA
SCHEMBL28668267 0.87 SYK (0.74) SYKATMMAPTCTSSPPARA
SCHEMBL14497009 0.87 SYK (0.74) SYKATMMAPTCTSSPPARA
SCHEMBL6541785 0.87 SYK (0.74) SYKATMMAPTCTSSPPARA
SCHEMBL975349 0.87 SYK (0.74) SYKATMMAPTCTSSPPARA
SCHEMBL30489542 0.86 SYK (0.73) SYKATMMAPTCTSSPPARA
SCHEMBL28663877 0.86 SYK (0.73) SYKATMMAPTCTSSPPARA
SCHEMBL30489676 0.86 SYK (0.73) SYKATMMAPTCTSSPPARA

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
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 — — CN disclosed
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