SCHEMBL30244725

SCHEMBL30244725

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA9 Q16790 7/20 0.46
CA2 P00918 6/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 3/20 0.42
PSMD10 O75832 1/20 0.40
STAT3 P40763 1/20 0.40
NPC1 O15118 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 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
SCHEMBL30244540 1.00 CA12 (0.46) CA12CA1CA9CA2CA14
SCHEMBL30325035 0.87 MAPT (0.58) CA12CA1CA9MAPTPSMD10
SCHEMBL13252835 0.87 MAPT (0.58) CA12CA1CA9MAPTPSMD10
SCHEMBL30325226 0.87 MAPT (0.58) CA12CA1CA9MAPTPSMD10
SCHEMBL22032136 0.86 CA12 (0.44) CA12CA1CA9CA2CA14
SCHEMBL13873578 0.86 GAA (0.54) CA12CA1CA9CA2MAPT
SCHEMBL26938534 0.84 POLB (0.47) CA12CA1CA9CA2STAT3
SCHEMBL29084498 0.83 MAPT (0.63) CA12CA1CA9MAPTPSMD10
SCHEMBL2386879 0.81 CA12 (0.49) CA12CA1CA9MAPTPSMD10
SCHEMBL1595317 0.81 CA12 (0.45) CA12CA1CA9CA2STAT3

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
WO-2022251588-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2022-12-01 WO disclosed