SCHEMBL20198143

SCHEMBL20198143

CC[C@@H](C)N(CCN)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.32
CA14 Q9ULX7 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL25124098 0.86 CA14 (0.39) CA14CA12CA1CA7HDAC1
SCHEMBL1027531 0.86 AAK1 (0.34) AAK1CA14CA12CA1CA7
SCHEMBL20248816 0.83 CTSK (0.35) CA14CA12CA1CA7HDAC1
SCHEMBL18658421 0.82 HDAC6 (0.34) CA14CA12CA1CA7HDAC1
SCHEMBL18419554 0.82 HDAC6 (0.34) CA14CA12CA1CA7HDAC1
SCHEMBL18281954 0.82 CTSS (0.34) CA14CA12CA1CA7HDAC1
SCHEMBL20198186 0.80 CA14 (0.37) AAK1CA14CA12CA1CA7
SCHEMBL6673738 0.80 GABRR1 (0.33) AAK1CA14HDAC1HDAC2HDAC6
SCHEMBL14063006 0.79 HDAC6 (0.36) AAK1CA14HDAC1HDAC2HDAC6
SCHEMBL24525561 0.79 ALDH1A1 (0.40) AAK1CA14CA12CA1CA7

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
EP-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 EP disclosed