SCHEMBL7409262

SCHEMBL7409262

C=CCOC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.58
KLK5 Q9Y337 1/20 0.58
CACNA1B Q00975 5/20 0.50
PPARA Q07869 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
CTSS P25774 4/20 0.47
CASP1 P29466 3/20 0.47
SYK P43405 1/20 0.47
PPARG P37231 2/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL29828584 0.96 KLK7 (0.55) KLK7KLK5CACNA1BPPARASMN1; SMN2
SCHEMBL4370045 0.90 KLK5 (0.65) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL31360771 0.89 SMN1; SMN2 (0.49) KLK7KLK5PPARASMN1; SMN2CTSS
SCHEMBL29602353 0.89 KLK7 (0.51) KLK7KLK5PPARACTSSCASP1
SCHEMBL28713173 0.89 KLK7 (0.51) KLK7KLK5PPARACTSSCASP1
SCHEMBL9943561 0.87 KLK5 (0.65) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL10585294 0.87 KLK5 (0.65) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL9943562 0.87 KLK5 (0.65) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL12585497 0.87 KLK5 (0.65) KLK7KLK5CACNA1BPPARACTSS
SCHEMBL17659960 0.86 KLK5 (0.62) KLK7KLK5CACNA1BPPARACTSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO disclosed