SCHEMBL7767526

SCHEMBL7767526

CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2COc2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
DGAT1 O75907 1/20 0.37
TP53 P04637 1/20 0.36
PTPN1 P18031 1/20 0.36
MAOB P27338 3/20 0.36
GSTP1 P09211 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
FDFT1 P37268 1/20 0.36
ACACB O00763 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL7769007 0.93 LTA4H (0.37) TP53MAOBOPRM1OPRD1PTGS1
SCHEMBL7768516 0.87 APP (0.35)
SCHEMBL7769000 0.84 HTT (0.36) MAOBLMNAHIF1AHTR2BTMEM97
SCHEMBL7767591 0.84 MAOB (0.46) TP53MAOBOPRM1OPRD1LMNA
SCHEMBL13108195 0.83 TAAR1 (0.40) LMNASLC6A2TMEM97SIGMAR1
SCHEMBL13595464 0.83 TAAR1 (0.40) LMNASLC6A2TMEM97SIGMAR1
SCHEMBL7768553 0.81 CA1 (0.37) TP53CYP1A2HIF1AMAPT
SCHEMBL7764003 0.81 APP (0.37) TP53CYP1A2HIF1AMAPT
SCHEMBL7768559 0.81 PTPN1 (0.35) PTPN1
SCHEMBL7767015 0.79 ALDH1A1 (0.38) TP53RAB9ASMN1; SMN2L3MBTL1

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