SCHEMBL7781985

SCHEMBL7781985

Cc1ccc(S(=O)(=O)OCC2COc3cc4c(cc3O2)OCO4)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CA2 P00918 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR6 P50406 1/20 0.40
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
FFAR1 O14842 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
SCHEMBL8103835 1.00 LMNA (0.46) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL11102654 0.92 LMNA (0.48) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL8123526 0.89 CA2 (0.49) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL1042355 0.89 LMNA (0.46) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL438614 0.89 CA2 (0.49) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL6973472 0.89 CA2 (0.57) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL6973466 0.89 CA2 (0.57) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL10832816 0.89 CA2 (0.51) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL1019038 0.85 FFAR1 (0.49) LMNACA2SMN1; SMN2MAPTALDH1A1
SCHEMBL1018787 0.85 FFAR1 (0.49) LMNACA2SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841334-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2001-10-04 EP disclosed
US-5780650-A Process for preparation of 1,4-benzodioxane derivative DAISO CO., LTD. (JP) 1998-07-14 US disclosed
EP-0841334-A1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO., LTD. (JP) 1998-05-13 EP disclosed