SCHEMBL28982292

SCHEMBL28982292

CCC(CC)C(C)(P(=O)(O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.45
CA12 O43570 6/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 5/20 0.45
MMP2 P08253 4/20 0.45
CA1 P00915 8/20 0.42
CA3 P07451 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
HSD11B1 P28845 1/20 0.40
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28982302 0.82 GAA (0.41) CA2CA12CA9CA14MMP2
SCHEMBL2033900 0.76 ALDH1A1 (0.47) CA2CA12CA9CA14MMP2
SCHEMBL22955424 0.71 CA1 (0.49) CA2CA12CA9CA14MMP2
SCHEMBL5018973 0.70 CA2 (0.55) CA2CA12CA9CA14MMP2
SCHEMBL22952480 0.67 MAPT (0.45) CA2CA12CA9CA14MMP2
SCHEMBL21364029 0.67 CA1 (0.44) CA2CA12CA9CA14MMP2
SCHEMBL30888176 0.67 CA2 (0.59) CA2CA12CA9CA14MMP2
SCHEMBL3230183 0.66 PTPRC (0.51) CA2CA12CA9CA14MMP2
SCHEMBL2637314 0.66 PTPRC (0.51) CA2CA12CA9CA14MMP2
SCHEMBL9190432 0.66 CA1 (0.46) CA2CA12CA9CA14MMP2

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-115916966-A STRAD binding agents and uses thereof 加利福尼亚大学董事会 2023-04-04 CN disclosed