SCHEMBL8901516

SCHEMBL8901516

O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
LTA4H P09960 2/20 0.44
ROCK2 O75116 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
CASP3 P42574 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
SCHEMBL11684378 0.84 LMNA (0.49) MAPTRAB9ASMN1; SMN2POLBMAOA
SCHEMBL7299454 0.75 TP53 (0.68) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1224023 0.75 TP53 (0.71) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7296951 0.75 MAPT (0.80) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28014288 0.74 MAPT (0.60) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8934296 0.74 LMNA (0.50) ADRB2ADRB1ADRB3
SCHEMBL8645545 0.73 CA1 (0.49)
SCHEMBL29090089 0.73 CA1 (0.49)
SCHEMBL28246624 0.73 NPC1 (0.68) TP53MAPTNPC1RAB9ASMN1; SMN2
Benzyl Phenylcarbamate SCHEMBL1222943 0.72 POLB (0.78) TP53MAPTNPC1RAB9ASMN1; SMN2

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-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
US-5521160-A COMPOUNDS FOR TREATMENT OF ATHERIOSCLEROSIS IN BLOOD VESSELS AND PREVENTION OF RESTENOSIS AFTER ANGIOPLASTY HOFFMANN-LA ROCHE INC. (US) 1996-05-28 US disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed