SCHEMBL7767009

SCHEMBL7767009

O=C(O)c1ccc(/C=C\c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.81
NR4A1 P22736 1/20 0.81
NR4A3 Q92570 1/20 0.81
SRD5A2 P31213 1/20 0.74
PLA2G4B P0C869 1/20 0.70
GSK3B P49841 2/20 0.68
BACE1 P56817 2/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
MAOB P27338 3/20 0.65
PARP10 Q53GL7 1/20 0.62
LCK P06239 1/20 0.61
RXRA P19793 3/20 0.60
RXRB P28702 3/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL4059143 0.90 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL228477 0.90 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL6830467 0.90 NR4A2 (1.00) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL11603274 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL11273693 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL11603952 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
Hydrochloric Acid SCHEMBL8544438 0.89 NR4A2 (0.96) NR4A2NR4A1NR4A3SRD5A2PLA2G4B
SCHEMBL14786203 0.87 LCK (0.77) GSK3BBACE1ABCG2MAOBLCK
SCHEMBL20024692 0.87 LCK (0.77) GSK3BBACE1ABCG2MAOBLCK
SCHEMBL1221359 0.85 NR4A2 (0.90) NR4A2NR4A1NR4A3SRD5A2PLA2G4B

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
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