SCHEMBL7768967

SCHEMBL7768967

CC(=O)O[C@@H](COc1ccc(Cc2ccc(OCC(=O)O)cc2)cc1)[C@H](COc1ccc(Cc2ccc(OCC(=O)O)cc2)cc1)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PTPN1 P18031 1/20 0.45
ALOX15 P16050 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
FFAR1 O14842 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.41
PTPN7 P35236 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN12 Q05209 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL7767013 0.80 ALOX15 (0.52) ALDH1A1TSHRSMN1; SMN2PTPN1ALOX15
SCHEMBL7767640 0.77 PLA2G4B (0.53) TSHRSMN1; SMN2ALOX15NR4A1MAPT
SCHEMBL5004504 0.76 ALOX15 (0.70) ALDH1A1PTPN1ALOX15FFAR1MAPT
SCHEMBL7084126 0.75 CYP2C9 (0.49) TSHRSMN1; SMN2THRBMAPTKMT2A
SCHEMBL11377919 0.73 LMNA (0.56) ALDH1A1SMN1; SMN2PTPN1ALOX15FFAR1
SCHEMBL17154344 0.73 ALOX15 (0.55) ALDH1A1TSHRSMN1; SMN2PTPN1ALOX15
SCHEMBL8333499 0.72 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2ALOX15THRA
SCHEMBL10702376 0.72 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2ALOX15NR4A1
SCHEMBL339492 0.72 ALOX15 (0.81) ALDH1A1TSHRSMN1; SMN2ALOX15NR4A1
SCHEMBL10702374 0.72 ALOX15 (0.57) ALDH1A1TSHRSMN1; SMN2ALOX15NR4A1

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 2 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
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