SCHEMBL7041271

SCHEMBL7041271

COc1ccc(C(O)C(C)NC(Oc2ccc(O)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)C(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
GAA P10253 4/20 0.47
HSD17B10 Q99714 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 2/20 0.44
ADRB3 P13945 3/20 0.44
HSD17B2 P37059 2/20 0.42
MITF O75030 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7605258 0.83 ADRB3 (0.47) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7044403 0.83 STING1 (0.45) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7042718 0.79 GAA (0.46) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7608479 0.76 ADRB3 (0.48) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7609836 0.74 ADRB3 (0.47) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7176816 0.74 LMNA (0.66) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7042479 0.73 ADRB2 (0.50) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7044656 0.71 MEN1 (0.50) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7174716 0.71 ALDH1A1 (0.49) MAPTGAAHSD17B10ALDH1A1TP53
SCHEMBL7042719 0.71 ADRB3 (0.51) GAAHSD17B10ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292564-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-19 EP disclosed
WO-2001062705-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-30 WO disclosed