SCHEMBL6274074

SCHEMBL6274074

CCOC(=O)Cc1ccc(S(=O)(=O)c2ccc(O)c(C(N)=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 2/20 0.40
CYP4Z1 Q86W10 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
JAK2 O60674 2/20 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
SCHEMBL6271745 0.80 LMNA (0.53) GAANPSR1ALDH1A1KDM4ELMNA
SCHEMBL6267973 0.76 GAA (0.41) GAAALDH1A1KDM4EHSD17B10CA12
SCHEMBL6677922 0.74 CA2 (0.49) ALDH1A1KDM4EHSD17B10LMNATSHR
Hydrochloric Acid SCHEMBL6800403 0.73 CA2 (0.48) ALDH1A1KDM4EHSD17B10LMNATSHR
SCHEMBL19332547 0.72 GAA (0.47) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL27513611 0.72 CYP1A2 (0.62) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL3057899 0.72 ALDH1A1 (0.49) GAAALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL2665963 0.72 LMNA (0.56) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL2665972 0.72 KMT2A (0.57) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL68851 0.72 CYP4Z1 (0.62) GAAALDH1A1KDM4EHSD17B10LMNA

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-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed