SCHEMBL8693569

SCHEMBL8693569

CC(CN(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
BACE1 P56817 6/20 0.49
CTSK P43235 6/20 0.45
ATM Q13315 1/20 0.44
CTSL P07711 4/20 0.43
CTSB P07858 4/20 0.43
CTSS P25774 3/20 0.43
ELANE P08246 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6799553 0.93 SYK (0.50) SYKBACE1CTSKATMCTSL
SCHEMBL5729333 0.92 SYK (0.51) SYKBACE1CTSKATMCTSL
SCHEMBL14256999 0.91 SYK (0.52) SYKBACE1CTSKATMCTSL
SCHEMBL6840612 0.88 SYK (0.53) SYKCTSKATMCTSLCTSB
SCHEMBL10899801 0.88 SYK (0.52) SYKBACE1CTSKCTSLCTSB
SCHEMBL4891550 0.87 SYK (0.50) SYKBACE1CTSKATMCTSL
SCHEMBL1554884 0.85 SYK (0.48) SYKBACE1CTSKATMCTSL
SCHEMBL4896495 0.85 SYK (0.48) SYKBACE1CTSKATMCTSL
SCHEMBL15316179 0.85 BACE1 (0.61) SYKBACE1CTSKATMCTSL
SCHEMBL15003939 0.85 SYK (0.51) SYKBACE1CTSKCTSLCTSS

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-5804559-A WATER SOLUBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-08 US disclosed