SCHEMBL30154236

SCHEMBL30154236

CCCCN(C/C=C/C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.37
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 2/20 0.35
HCAR2 Q8TDS4 3/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
PTPN1 P18031 1/20 0.32
CA7 P43166 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
SCHEMBL8642403 0.86 CA14 (0.46) CA14CA12CA1CA9MMP1
SCHEMBL8642397 0.86 CA14 (0.46) CA14CA12CA1CA9MMP1
SCHEMBL3019714 0.84 CA14 (0.43) CA14CA12CA1CA9MMP1
SCHEMBL14617832 0.82 CA14 (0.34) CA14HDAC6HDAC1HDAC2HDAC3
SCHEMBL8641770 0.82 CA14 (0.43) CA14CA12CA1CA9MMP1
SCHEMBL8641767 0.82 CA14 (0.43) CA14CA12CA1CA9MMP1
SCHEMBL25969918 0.81 CA14 (0.54) CA14CA12CA1CA9MMP1
SCHEMBL8640041 0.80 CA14 (0.46) CA14CA12CA1CA9HDAC6
SCHEMBL8640034 0.80 CA14 (0.46) CA14CA12CA1CA9HDAC6
SCHEMBL15801155 0.79 CA14 (0.44) CA14ZDHHC20CA12CA1CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373825-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2024-05-29 EP disclosed
WO-2023004376-A1 NITRILE SUMO INHIBITORS AND USES THEREOF Suvalent Therapeutics, Inc. (US) 2023-01-26 WO disclosed