SCHEMBL7304843

SCHEMBL7304843

CC(C)(C)OC(=O)N[C@@H](CCSc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.54
PPARA Q07869 5/20 0.53
CTSS P25774 4/20 0.50
PPARG P37231 4/20 0.50
SYK P43405 1/20 0.50
CTSK P43235 4/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
KLK5 Q9Y337 3/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
ACE P12821 1/20 0.47
PPARD Q03181 2/20 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
SCHEMBL7308969 0.92 CACNA1B (0.53) KLK7PPARACTSSPPARGSYK
SCHEMBL7308965 0.92 CACNA1B (0.53) KLK7PPARACTSSPPARGSYK
SCHEMBL7575648 0.91 SYK (0.53) KLK7PPARACTSSPPARGSYK
SCHEMBL17464243 0.89 KLK7 (0.65) KLK7PPARACTSSPPARGSYK
SCHEMBL12873043 0.89 KLK7 (0.65) KLK7PPARACTSSPPARGSYK
SCHEMBL22433663 0.88 PPARA (0.57) KLK7PPARACTSSPPARGSYK
SCHEMBL22433665 0.88 PPARA (0.57) KLK7PPARACTSSPPARGSYK
SCHEMBL22433357 0.88 PPARA (0.57) KLK7PPARACTSSPPARGSYK
SCHEMBL30788980 0.87 CTSK (0.54) KLK7PPARACTSSPPARGSYK
SCHEMBL7303397 0.86 KLK7 (0.50) KLK7PPARACTSSPPARGSYK

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