SCHEMBL7768503

SCHEMBL7768503

COC(=O)c1ccc(OC[C@@H]2OC(C)(C)O[C@H]2COc2ccc(Cc3ccc(OCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 3/20 0.51
MAOB P27338 1/20 0.47
PTPN1 P18031 2/20 0.46
LNPEP Q9UIQ6 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL7763851 0.89 CA1 (0.47) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7771479 0.85 MAPT (0.57) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7763850 0.84 MAPT (0.50) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7767116 0.81 MAPT (0.53) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7771429 0.81 MAPT (0.53) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7763838 0.81 DRD2 (0.43) SMN1; SMN2RAB9ANPC1MAPTMAOB
SCHEMBL978502 0.80 RAB9A (0.71) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7771500 0.79 MAPT (0.47) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7771472 0.78 SMPD1 (0.44) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL10760418 0.77 ALOX5 (0.42) SMN1; SMN2RAB9ANPC1MAOBLMNA

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 4 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
CN-1150589-A New sulfuric acid esters of sugar alcohols HOFFMANN LA ROCHE (CH) 1997-05-28 CN 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