SCHEMBL2186751

SCHEMBL2186751

CC(CN1CCOC(C)C1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSL P07711 3/20 0.36
CTSB P07858 2/20 0.36
CYP2D6 P10635 1/20 0.34
HCRTR2 O43614 1/20 0.34
KMT2A Q03164 1/20 0.34
PREP P48147 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TSHR P16473 1/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
CTSS P25774 1/20 0.33
GLRA1 P23415 1/20 0.33

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
SCHEMBL4799140 0.86 CTSK (0.36) CTSKCA1CA2CA7CTSL
SCHEMBL2255069 0.81 CTSK (0.49) CTSKCA1CA2CA7CTSL
SCHEMBL12260408 0.81 CTSK (0.49) CTSKCA1CA2CA7CTSL
SCHEMBL357027 0.81 CTSK (0.49) CTSKCA1CA2CA7CTSL
SCHEMBL14751225 0.81 CA1 (0.39) CTSKCA1CA2CA7CTSL
SCHEMBL14738146 0.78 CA1 (0.39) CTSKCA1CA2CA7CTSL
SCHEMBL14738147 0.78 CA1 (0.39) CTSKCA1CA2CA7CTSL
SCHEMBL7510900 0.77 CTSK (0.48) CTSKCA1CA2CA7CTSL
SCHEMBL12420756 0.77 CTSK (0.48) CTSKCA1CA2CA7CTSL
SCHEMBL18534563 0.77 CTSK (0.48) CTSKCA1CA2CA7CTSL

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-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed