SCHEMBL7768531

SCHEMBL7768531

O=C(O)c1ccc(OC[C@H](O)[C@@H](O)COc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
PLA2G4B P0C869 3/20 0.58
MAPK1 P28482 1/20 0.56
NR4A2 P43354 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
NR1H4 Q96RI1 2/20 0.51
SRD5A2 P31213 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL7768982 0.92 PLA2G4B (0.55) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL9741504 0.92 PLA2G4B (0.55) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL9741323 0.88 PLA2G4B (0.71) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL7768977 0.88 RARB (0.54) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL8480906 0.85 PLA2G4B (0.55) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL8652183 0.85 LMNA (0.63) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL24198673 0.83 PLA2G4B (0.61) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL17908101 0.83 PLA2G4B (0.61) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL17908021 0.83 PLA2G4B (0.61) PKMPLA2G4BMAPK1NR4A2POLB
SCHEMBL4366529 0.82 PKM (0.56) PKMPLA2G4BMAPK1NR4A2POLB

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