SCHEMBL7767591

SCHEMBL7767591

CC1(C)O[C@@H]([C@H]2OC(C)(C)O[C@@H]2COc2ccc(OCc3ccccc3)cc2)[C@H](COc2ccc(OCc3ccccc3)cc2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
BCHE P06276 1/20 0.43
TP53 P04637 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
SCHEMBL7767007 0.84 HTT (0.43) MAOBLMNAMAPTRAB9ASMN1; SMN2
SCHEMBL7767526 0.84 ENPP3 (0.38) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL7769007 0.83 LTA4H (0.37) MAOBPTGS1PTGS2RAB9ASMN1; SMN2
SCHEMBL7771475 0.78 MEN1 (0.53) HIF1ANR4A1NR4A2NR4A3ALDH1A1
SCHEMBL27610693 0.77 MEN1 (0.45) MAOBMMP2MMP13BCHETP53
SCHEMBL27610632 0.77 MEN1 (0.45) MAOBMMP2MMP13BCHETP53
SCHEMBL27588736 0.77 MEN1 (0.45) MAOBMMP2MMP13BCHETP53
SCHEMBL7768503 0.76 KMT2A (0.52) MAOBLMNAHIF1AMAPTRAB9A
SCHEMBL7768509 0.76 AR (0.50) RAB9ASMN1; SMN2MMP2MMP13
SCHEMBL15658850 0.76 ALDH1A1 (0.43) LMNASLC6A2BCHEALDH1A1

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-0741128-B1 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls HOFFMANN LA ROCHE (CH) 2001-06-20 EP disclosed
US-5830920-A PREVENTION GROWTH OF SMOOTH MUSCLE CELLS HOFFMANN-LA ROCHE INC. (US) 1998-11-03 US disclosed
EP-0741128-A2 Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1996-11-06 EP disclosed