SCHEMBL7767640

SCHEMBL7767640

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PKM P14618 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
TP53 P04637 1/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47

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 0.92 POLB (0.51) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL7763842 0.88 HSD17B10 (0.53) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL834902 0.79 NR1H4 (0.70) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL10592785 0.78 MAPK1 (0.54) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL8652183 0.77 LMNA (0.63) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL7768967 0.77 ALDH1A1 (0.46) MAPK1LMNAMAPTTSHRALOX15
SCHEMBL9741323 0.77 PLA2G4B (0.71) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL7768531 0.77 PKM (0.58) PLA2G4BMAPK1POLBLMNAMAPT
SCHEMBL177390 0.76 PLA2G4B (0.82) PLA2G4BMAPK1NPSR1TSHRPKM
SCHEMBL5151818 0.76 MAPK1 (0.60) PLA2G4BMAPK1POLBLMNAMAPT

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