SCHEMBL24521650

SCHEMBL24521650

CCCN(CCNC(=O)OC(C)(C)C)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 5/20 0.46
CA1 P00915 5/20 0.46
CA7 P43166 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
EPHX1 P07099 1/20 0.39
DRD2 P14416 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL14877953 0.94 CA14 (0.55) CA14CA12CA1CA7TDP1
SCHEMBL13055403 0.93 CA14 (0.54) CA14CA12CA1CA7TDP1
SCHEMBL16917201 0.92 CA12 (0.45) CA14CA12CA1CA7TDP1
SCHEMBL13055414 0.92 CA14 (0.53) CA14CA12CA1CA7TDP1
SCHEMBL13055411 0.92 CA14 (0.53) CA14CA12CA1CA7TDP1
SCHEMBL13055399 0.92 CA14 (0.53) CA14CA12CA1CA7TDP1
SCHEMBL18950461 0.89 CA14 (0.63) CA14CA12CA1CA7TDP1
SCHEMBL13055580 0.89 TDP1 (0.47) CA14CA12CA1CA7TDP1
SCHEMBL14877954 0.88 CA14 (0.58) CA14CA12CA1CA7TDP1
SCHEMBL14877951 0.88 CA14 (0.58) CA14CA12CA1CA7TDP1

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-3383846-B1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS OTAGO INNOVATION LTD (NZ) 2022-06-22 EP disclosed