SCHEMBL31133367

SCHEMBL31133367

Cc1ccc(S(=O)(=O)OCCOc2cc(F)cc(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
STAT3 P40763 2/20 0.46
KAT6A Q92794 3/20 0.45
TAS2R14 Q9NYV8 1/20 0.40
PLA2G2A P14555 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
MCL1 Q07820 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
LDHA P00338 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PAX8 Q06710 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
SCHEMBL21818250 1.00 CA12 (0.47) CA12CA1CA9STAT3KAT6A
SCHEMBL21819012 0.83 KMT2A (0.57) CA12CA1CA9STAT3KAT6A
SCHEMBL31133435 0.83 KMT2A (0.57) CA12CA1CA9STAT3KAT6A
SCHEMBL11111198 0.82 STAT3 (0.59) CA12CA1CA9STAT3KMT2A
SCHEMBL28624463 0.81 KAT6A (0.47) KAT6APLA2G2AKMT2AMEN1
SCHEMBL5377371 0.80 CA12 (0.61) CA12CA1CA9STAT3CTDSP1
SCHEMBL9713577 0.79 CA12 (0.53) CA12CA1CA9L3MBTL1
SCHEMBL8780766 0.78 CA12 (0.56) CA12CA1CA9KMT2AMEN1
SCHEMBL21893932 0.77 PLA2G2A (0.41) KAT6APLA2G2AMCL1KMT2AMEN1
SCHEMBL13252830 0.76 CA12 (0.47) CA12CA1CA9STAT3KMT2A

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-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed