SCHEMBL7768495

SCHEMBL7768495

CC(=O)O[C@H]([C@H](OC(C)=O)[C@H](COc1ccc(/C=C/C(=O)O)cc1)OC(C)=O)[C@@H](COc1ccc(/C=C/C(=O)O)cc1)OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MEN1 O00255 1/20 0.42
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7766967 0.79 POLB (0.51) POLBNPC1RAB9AKMT2AMAPT
SCHEMBL157926 0.79 THRB (0.60) THRBATMPOLBNPC1RAB9A
SCHEMBL3692639 0.79 THRB (0.60) THRBATMPOLBNPC1RAB9A
SCHEMBL691131 0.77 NPC1 (0.69) THRBATMPOLBNPC1RAB9A
SCHEMBL691132 0.77 NPC1 (0.69) THRBATMPOLBNPC1RAB9A
SCHEMBL7763842 0.76 HSD17B10 (0.53) POLBMAPTMAPK1TDP1TP53
Hydrochloric Acid SCHEMBL8023969 0.75 NPC1 (0.68) THRBATMPOLBNPC1RAB9A
SCHEMBL8084861 0.75 THRB (0.55) THRBATMPOLBNPC1RAB9A
SCHEMBL8086431 0.75 THRB (0.55) THRBATMPOLBNPC1RAB9A
SCHEMBL8086432 0.75 THRB (0.55) THRBATMPOLBNPC1RAB9A

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 2 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
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