SCHEMBL7310208

SCHEMBL7310208

CC(C)(C)OC(=O)N[C@@H](CCSc1ccccc1Cl)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.50
PPARA Q07869 3/20 0.48
CACNA1B Q00975 1/20 0.46
CTSS P25774 4/20 0.46
PPARG P37231 2/20 0.46
SYK P43405 1/20 0.46
CTSK P43235 4/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
KLK5 Q9Y337 3/20 0.44
MAPT P10636 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL7310211 1.00 KLK7 (0.50) KLK7PPARACACNA1BCTSSPPARG
SCHEMBL7303397 0.88 KLK7 (0.50) KLK7PPARACTSSPPARGSYK
SCHEMBL7303403 0.88 KLK7 (0.50) KLK7PPARACTSSPPARGSYK
SCHEMBL7304843 0.86 KLK7 (0.54) KLK7PPARACTSSPPARGSYK
SCHEMBL7308969 0.85 CACNA1B (0.53) KLK7PPARACACNA1BCTSSPPARG
SCHEMBL7308965 0.85 CACNA1B (0.53) KLK7PPARACACNA1BCTSSPPARG
SCHEMBL17464243 0.85 KLK7 (0.65) KLK7PPARACTSSPPARGSYK
SCHEMBL12873043 0.85 KLK7 (0.65) KLK7PPARACTSSPPARGSYK
SCHEMBL30788980 0.83 CTSK (0.54) KLK7PPARACTSSPPARGSYK
SCHEMBL24205792 0.82 PPARA (0.56) KLK7PPARACACNA1BCTSSPPARG

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