SCHEMBL30364158

SCHEMBL30364158

CCCCN(CCCC)C(=O)CC(C)=O.CCCCN(CCCC)C(=O)CC(C)=O.CCCCN(CCCC)C(=O)CC(C)=O.[Fe+3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA9 Q16790 3/20 0.48
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 3/20 0.39
ALDH2 P05091 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KDM5A P29375 5/20 0.37
KDM4C Q9H3R0 4/20 0.37
HPGD P15428 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 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
SCHEMBL2417403 0.98 CA12 (0.50) CA12CA1CA9MMP1MMP2
SCHEMBL29383768 0.96 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL30364182 0.96 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL15520237 0.96 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL14890557 0.96 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL15016405 0.96 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL19621298 0.94 SIGMAR1 (0.47) CA12CA1CA9MMP1MMP2
SCHEMBL16210777 0.92 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL2250218 0.90 CA12 (0.44) CA12CA1CA9MMP1MMP2
SCHEMBL11357421 0.89 CA12 (0.45) CA12CA1CA9MMP1MMP2

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
CN-112088182-B Structural two-component adhesives 汉高股份有限及两合公司 2023-05-05 CN disclosed