SCHEMBL31662276

SCHEMBL31662276

COC(C)(C)CCOS(=O)(=O)c1ccc(C)cc1.COC(C)(C)CCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PSMD10 O75832 1/20 0.40
VDR P11473 1/20 0.40
STAT3 P40763 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CA2 P00918 1/20 0.36
CA3 P07451 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
SCHEMBL1644013 1.00 CA12 (0.40) CA12CA1CA9ALDH1A1MEN1
SCHEMBL5570843 0.94 CA12 (0.38) CA12CA1CA9ALDH1A1MEN1
SCHEMBL3102392 0.88 PSMD10 (0.39) CA12CA1CA9ALDH1A1MEN1
SCHEMBL13474722 0.88 ALDH1A1 (0.35) CA12CA1CA9ALDH1A1MEN1
SCHEMBL21618281 0.87 CA1 (0.40) CA12CA1CA9ALDH1A1MEN1
SCHEMBL2895372 0.87 CA12 (0.40) CA12CA1CA9ALDH1A1MEN1
SCHEMBL1502260 0.85 STAT3 (0.44) CA12CA1CA9ALDH1A1MEN1
SCHEMBL6002078 0.85 ALDH1A1 (0.43) CA12CA1CA9ALDH1A1MEN1
SCHEMBL25000172 0.84 CA12 (0.39) CA12CA1CA9ALDH1A1MEN1
SCHEMBL29171179 0.83 ALDH1A1 (0.42) CA12CA1CA9ALDH1A1MEN1

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed