SCHEMBL8908668

SCHEMBL8908668

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
IDO1 P14902 1/20 0.49
MAPT P10636 2/20 0.47
ABCB1 P08183 1/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
CTSS P25774 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PPARA Q07869 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MALT1 Q9UDY8 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL6045085 0.95 SYK (0.53) SYKKLK7KLK5IDO1MAPT
SCHEMBL9943561 0.85 KLK5 (0.65) SYKKLK7KLK5CTSSPPARA
SCHEMBL12585497 0.85 KLK5 (0.65) SYKKLK7KLK5CTSSPPARA
SCHEMBL9943562 0.85 KLK5 (0.65) SYKKLK7KLK5CTSSPPARA
SCHEMBL851946 0.83 LMNA (0.52) SYKKLK7KLK5IDO1MAPT
SCHEMBL851947 0.83 LMNA (0.52) SYKKLK7KLK5IDO1MAPT
SCHEMBL9224456 0.83 MEN1 (0.53) SYKKLK7KLK5IDO1MAPT
SCHEMBL15202883 0.82 SYK (0.64) SYKKLK7KLK5IDO1MAPT
SCHEMBL6514568 0.82 SYK (0.56) SYKIDO1MAPTPOLBMAPK1
SCHEMBL6514567 0.82 SYK (0.56) SYKIDO1MAPTPOLBMAPK1

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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed