SCHEMBL7766967

SCHEMBL7766967

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PLA2G4B P0C869 3/20 0.51
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
PKM P14618 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
TP53 P04637 1/20 0.45
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
NR4A2 P43354 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7763842 0.96 HSD17B10 (0.53) POLBLMNAMAPTNPSR1PLA2G4B
SCHEMBL7767640 0.92 PLA2G4B (0.53) POLBLMNAMAPTNPSR1PLA2G4B
SCHEMBL7768495 0.79 THRB (0.50) POLBMAPTMAPK1TDP1TP53
SCHEMBL8900805 0.78 TDP1 (0.59) POLBLMNAMAPTNPSR1MAPK1
SCHEMBL9741323 0.77 PLA2G4B (0.71) POLBLMNAMAPTNPSR1PLA2G4B
SCHEMBL7767134 0.75 TDP1 (0.55) POLBLMNAMAPTNPSR1MAPK1
SCHEMBL7771428 0.75 HPGD (0.51) POLBLMNAMAPK1TDP1TSHR
SCHEMBL4366529 0.75 PKM (0.56) POLBPLA2G4BMAPK1TSHRHSD17B10
SCHEMBL834902 0.75 NR1H4 (0.70) POLBLMNAMAPTNPSR1PLA2G4B
SCHEMBL8414525 0.74 PLA2G4B (0.68) POLBLMNAMAPTNPSR1PLA2G4B

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