SCHEMBL27619941

SCHEMBL27619941

CN(C)C(=O)CCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
PPARG P37231 2/20 0.49
SYK P43405 1/20 0.49
ACE P12821 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
KLK7 P49862 2/20 0.46
MAPT P10636 1/20 0.46
KLK5 Q9Y337 1/20 0.46

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
SCHEMBL14496984 1.00 PPARA (0.52) PPARACTSSCTSKPPARGSYK
SCHEMBL203729 0.90 PPARA (0.49) PPARACTSSCTSKPPARGSYK
SCHEMBL2707957 0.90 PPARA (0.49) PPARACTSSCTSKPPARGSYK
SCHEMBL14985678 0.90 PPARA (0.49) PPARACTSSCTSKPPARGSYK
SCHEMBL13914080 0.90 PPARA (0.47) PPARACTSSCTSKPPARGSYK
SCHEMBL25717532 0.88 PPARA (0.54) PPARACTSSCTSKPPARGSYK
SCHEMBL203720 0.88 PPARA (0.56) PPARACTSSCTSKPPARGSYK
SCHEMBL10054776 0.88 PPARA (0.56) PPARACTSSCTSKPPARGSYK
SCHEMBL2707177 0.88 PPARA (0.56) PPARACTSSCTSKPPARGSYK
SCHEMBL957159 0.88 PPARA (0.56) PPARACTSSCTSKPPARGSYK

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