SCHEMBL20198186

SCHEMBL20198186

CCCN(C(=O)OC(C)(C)C)[C@H](C)CN

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 1/20 0.37
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CA2 P00918 1/20 0.31
CPB2 Q96IY4 1/20 0.30
CTSK P43235 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL20225470 0.86 HDAC6 (0.33) CA1CA7HDAC1HDAC2HDAC6
SCHEMBL19986761 0.86 HDAC6 (0.33) CA1CA7HDAC1HDAC2HDAC6
SCHEMBL19472431 0.86 HDAC6 (0.33) CA1CA7HDAC1HDAC2HDAC6
SCHEMBL25124098 0.86 CA14 (0.39) CA14CA12CA1CA7HDAC1
SCHEMBL12776500 0.85 CA14 (0.38) CA14CA12CA1CA7HDAC1
SCHEMBL13452140 0.85 CA14 (0.38) CA14CA12CA1CA7HDAC1
SCHEMBL3469119 0.84 CA14 (0.46) CA14CA12CA1CA7HDAC1
SCHEMBL8254114 0.81 CA14 (0.36) CA14CA12CA1CA7
SCHEMBL13560972 0.80 CA14 (0.37) CA14CA12CA1CA7HDAC1
SCHEMBL20198143 0.80 AAK1 (0.32) CA14CA12CA1CA7HDAC1

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