SCHEMBL7768977

SCHEMBL7768977

O=C(O)c1ccc(-c2ccc(OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)COc3ccc(-c4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.54
SRD5A2 P31213 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
PLA2G4B P0C869 1/20 0.51
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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 0.95 PLA2G4B (0.55) SRD5A2NR1H4PLA2G4BPKMMAPK1
SCHEMBL9741504 0.91 PLA2G4B (0.55) SRD5A2NR1H4PLA2G4BPKMMAPK1
SCHEMBL7768531 0.88 PKM (0.58) SRD5A2NR1H4PLA2G4BPKMMAPK1
SCHEMBL13309703 0.83 RARB (0.61) RARBSRD5A2NR1H4PLA2G4BPKM
SCHEMBL14789253 0.82 PLA2G4B (0.57) RARBSRD5A2NR1H4PLA2G4BPKM
SCHEMBL9741323 0.80 PLA2G4B (0.71) NR1H4PLA2G4BPKMMAPK1LMNA
SCHEMBL8569877 0.78 PKM (0.78) RARBSRD5A2PLA2G4BPKMMAPK1
SCHEMBL7699688 0.78 MAPT (0.60) RARBSRD5A2NR1H4PLA2G4BMAPK1
SCHEMBL7699686 0.78 MAPT (0.60) RARBSRD5A2NR1H4PLA2G4BMAPK1
SCHEMBL8652183 0.77 LMNA (0.63) RARBSRD5A2NR1H4PLA2G4BPKM

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