SCHEMBL8911004

SCHEMBL8911004

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
IDO1 P14902 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
NTSR1 P30989 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL9800522 0.81 MEN1 (0.43) SYKIDO1MEN1KMT2ACKS1B
SCHEMBL30841403 0.81 SYK (0.47) SYKKLK7KLK5IDO1MEN1
SCHEMBL30841401 0.80 SYK (0.48) SYKKLK5IDO1MEN1KMT2A
SCHEMBL12189898 0.80 SYK (0.53) SYKIDO1MEN1KMT2AMAPT
SCHEMBL29171354 0.80 SYK (0.47) SYKIDO1MEN1KMT2AMAPT
SCHEMBL30841405 0.79 SYK (0.45) SYKKLK7KLK5IDO1MEN1
SCHEMBL2525899 0.79 SYK (0.47) SYKIDO1MEN1KMT2AMAPT
SCHEMBL8908668 0.78 SYK (0.53) SYKKLK7KLK5IDO1MEN1
SCHEMBL14280788 0.78 SYK (0.48) SYKIDO1MAPTL3MBTL1TPSAB1
SCHEMBL30841384 0.77 SYK (0.45) SYKKLK7KLK5IDO1MAPT

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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed