SCHEMBL7767007

SCHEMBL7767007

CC1(C)O[C@@H]([C@H]2OC(C)(C)O[C@@H]2COc2cc3ccccc3cc2OCc2ccccc2)[C@H](COc2cc3ccccc3cc2OCc2ccccc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
STAT3 P40763 1/20 0.43
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 2/20 0.36
PTP4A3 O75365 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAOB P27338 1/20 0.35
LIPE Q05469 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7769000 0.88 HTT (0.36) HTTSMN1; SMN2STAT3ALOX5ALDH1A1
SCHEMBL7767591 0.84 MAOB (0.46) SMN1; SMN2ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL7763871 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1NPC1RAB9A
SCHEMBL7768507 0.80 ALDH1A1 (0.49) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL7763838 0.76 DRD2 (0.43) SMN1; SMN2ALDH1A1MAPTLMNAMAOB
SCHEMBL7767002 0.73 ALDH1A1 (0.52) HTTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL7767603 0.72 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1TDP1MRGPRX4
SCHEMBL15658850 0.72 ALDH1A1 (0.43) HTTALDH1A1LMNA
SCHEMBL28687044 0.72 ALOX5 (0.60) HTTSMN1; SMN2STAT3ALOX5MAPT
SCHEMBL7771475 0.72 MEN1 (0.53) ALOX5ALDH1A1MRGPRX4MEN1KMT2A

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