SCHEMBL7568028

SCHEMBL7568028

CC(C)N(CC(CO)NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
BACE1 P56817 6/20 0.51
CTRB1 P17538 2/20 0.46
CTSK P43235 5/20 0.45
ATM Q13315 2/20 0.44
PSMB5 P28074 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 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
SCHEMBL7568024 1.00 SYK (0.55) SYKBACE1CTRB1CTSKATM
SCHEMBL7575306 0.86 SYK (0.50) SYKBACE1CTRB1CTSKPSMB5
SCHEMBL7573918 0.85 SYK (0.52) SYKBACE1CTRB1CTSKATM
SCHEMBL7499769 0.85 CTSK (0.50) SYKBACE1CTSKCTSLCTSB
SCHEMBL7499786 0.85 CTSK (0.50) SYKBACE1CTSKCTSLCTSB
SCHEMBL7495407 0.84 SYK (0.49) SYKBACE1CTSKATMPSMB5
SCHEMBL7495397 0.84 SYK (0.49) SYKBACE1CTSKATMPSMB5
SCHEMBL7735294 0.80 SYK (0.60) SYKCTRB1CTSKATMPSMB5
SCHEMBL4848896 0.80 SYK (0.51) SYKBACE1CTRB1CTSKATM
SCHEMBL5197783 0.79 SYK (0.62) SYKCTRB1CTSKATMCTSL

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-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed