SCHEMBL7572533

SCHEMBL7572533

Cc1cc(NS(=O)(=O)CC(=O)O)cc(C)c1Oc1ccc(O)c(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRA P10827 5/20 0.48
THRB P10828 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYTH2 Q99418 1/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 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
SCHEMBL7512413 0.82 THRA (0.61) GAAALDH1A1SMN1; SMN2THRATHRB
SCHEMBL7568596 0.79 GAA (0.50) GAAALDH1A1SMN1; SMN2THRATHRB
SCHEMBL1642319 0.76 THRA (0.59) THRATHRB
SCHEMBL6738420 0.76 THRA (0.44) GAAALDH1A1SMN1; SMN2THRATHRB
SCHEMBL7574842 0.75 GAA (0.46) GAAALDH1A1SMN1; SMN2THRBL3MBTL1
SCHEMBL7517348 0.75 THRA (0.60) GAAALDH1A1THRATHRBL3MBTL1
SCHEMBL6735849 0.75 THRA (0.50) GAASMN1; SMN2THRATHRBKMT2A
SCHEMBL6735850 0.75 THRA (0.50) GAASMN1; SMN2THRATHRBKMT2A
SCHEMBL7516945 0.74 THRA (0.59) GAAALDH1A1SMN1; SMN2THRATHRB
SCHEMBL1642407 0.73 THRA (0.58) THRATHRB

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-2002090344-A1 AMIDO-DIPHENYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-11-14 WO disclosed