SCHEMBL23107149

SCHEMBL23107149

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA7 P43166 2/20 0.36
CA2 P00918 2/20 0.36
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA14 Q9ULX7 3/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CA12 O43570 2/20 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
SCHEMBL23773857 1.00 CA1 (0.36) CA1CA7CA2HDAC6HDAC1
SCHEMBL2080815 0.87 HDAC6 (0.33) CA1CA7CA2HDAC6HDAC1
SCHEMBL18400312 0.84 CA14 (0.36) CA1CA7CA2HDAC6HDAC1
SCHEMBL27471031 0.82 HDAC6 (0.39) CA1CA7CA2HDAC6HDAC1
SCHEMBL18419554 0.81 HDAC6 (0.34) CA1CA7CA2HDAC6HDAC1
SCHEMBL18658421 0.81 HDAC6 (0.34) CA1CA7CA2HDAC6HDAC1
SCHEMBL21488793 0.80 CA1 (0.33) CA1CA7CA2HDAC6HDAC1
SCHEMBL21488790 0.80 CA1 (0.33) CA1CA7CA2HDAC6HDAC1
SCHEMBL22388221 0.79 HDAC6 (0.33) CA1CA7CA2HDAC6HDAC1
SCHEMBL1163137 0.79 MEN1 (0.34) CA1CA7CA2HDAC6HDAC1

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
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 WO disclosed