SCHEMBL24880672

SCHEMBL24880672

CCCCCN(CO)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.49
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CA7 P43166 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
SSTR4 P31391 1/20 0.34
MGLL Q99685 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL23654550 0.95 CA14 (0.46) CA14CA12CA1CA9CA2
SCHEMBL133198 0.89 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL136485 0.89 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL140146 0.89 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL1962811 0.89 CA14 (0.55) CA14CA12CA1CA9CA2
SCHEMBL17814903 0.87 CA14 (0.50) CA14CA12CA1CA9CA2
SCHEMBL18599054 0.87 CA14 (0.54) CA14CA12CA1CA9CA2
SCHEMBL14755630 0.87 CA14 (0.54) CA14CA12CA1CA9CA2
SCHEMBL20442569 0.87 CA12 (0.42) CA14CA12CA1CA9CA2
SCHEMBL13527824 0.86 CA14 (0.54) CA14CA12CA1CA9CA2

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-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed