SCHEMBL31662455

SCHEMBL31662455

Cc1ccc(S(=O)(=O)OCCCOc2ccc(OCc3ccccc3)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
AR P10275 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
FFAR1 O14842 11/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
PPARD Q03181 3/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PIR O00625 1/20 0.42
MGLL Q99685 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL10537261 0.90 AR (0.47) ARCA12CA1CA9PPARD
SCHEMBL31042804 0.84 CA12 (0.44) CA12CA1CA9KEAP1NFE2L2
SCHEMBL6919116 0.81 AR (0.47) ARCA12CA1CA9KEAP1
SCHEMBL7371569 0.78 AR (0.56) ARFFAR1CA12CA1CA9
SCHEMBL1109820 0.77 DRD2 (0.50) ARCA12CA1CA9
SCHEMBL11259445 0.77 AR (0.48) ARCA12CA1CA9KEAP1
SCHEMBL13020433 0.77 CA12 (0.58) CA12CA1CA9
SCHEMBL2246161 0.76 ALDH1A1 (0.49) ARCA12CA1CA9PIR
SCHEMBL23213491 0.76 LMNA (0.42) ARMRGPRX4KEAP1NFE2L2PIR
SCHEMBL31748240 0.76 CA12 (0.49) ARCA12CA1CA9PIR

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