SCHEMBL7303403

SCHEMBL7303403

CC(C)(C)OC(=O)N[C@H](CCSc1ccccc1F)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.50
PPARA Q07869 3/20 0.48
CTSS P25774 5/20 0.46
KLK5 Q9Y337 3/20 0.46
PPARG P37231 2/20 0.46
SYK P43405 1/20 0.46
CTSK P43235 5/20 0.45
PTPN1 P18031 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MAPT P10636 1/20 0.43
ACE P12821 1/20 0.43
SCN9A Q15858 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
SCHEMBL7303397 1.00 KLK7 (0.50) KLK7PPARACTSSKLK5PPARG
SCHEMBL7310211 0.88 KLK7 (0.50) KLK7PPARACTSSKLK5PPARG
SCHEMBL7310208 0.88 KLK7 (0.50) KLK7PPARACTSSKLK5PPARG
SCHEMBL7304843 0.86 KLK7 (0.54) KLK7PPARACTSSKLK5PPARG
SCHEMBL12873043 0.85 KLK7 (0.65) KLK7PPARACTSSKLK5PPARG
SCHEMBL17464243 0.85 KLK7 (0.65) KLK7PPARACTSSKLK5PPARG
SCHEMBL22433357 0.83 PPARA (0.57) KLK7PPARACTSSKLK5PPARG
SCHEMBL22433665 0.83 PPARA (0.57) KLK7PPARACTSSKLK5PPARG
SCHEMBL22433663 0.83 PPARA (0.57) KLK7PPARACTSSKLK5PPARG
SCHEMBL30788980 0.83 CTSK (0.54) KLK7PPARACTSSKLK5PPARG

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-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed