SCHEMBL5818656

SCHEMBL5818656

O=C(O[C@@](O)(C(=O)O)[C@@](O)(OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
TSHR P16473 5/20 0.50
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42

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
SCHEMBL1848696 1.00 LMNA (0.54) LMNAF2TSHRMAPK1HIF1A
SCHEMBL1849951 1.00 LMNA (0.54) LMNAF2TSHRMAPK1HIF1A
SCHEMBL7751600 0.92 LMNA (0.47) LMNAF2TSHRMAPK1HIF1A
SCHEMBL637757 0.88 TSHR (0.44) LMNAF2TSHRMAPK1HIF1A
SCHEMBL28706308 0.79 LMNA (0.61) LMNAF2TSHRMAPK1HIF1A
SCHEMBL28501745 0.78 LMNA (0.54) LMNAF2TSHRMAPK1HIF1A
SCHEMBL8945819 0.78 TSHR (0.57) LMNAF2TSHRMAPK1HIF1A
SCHEMBL28898522 0.77 LMNA (0.58) LMNAF2TSHRMAPK1HIF1A
SCHEMBL9888221 0.77 TDP1 (0.55) LMNAF2TSHRMAPK1HIF1A
SCHEMBL4737765 0.77 LMNA (0.52) LMNAF2TSHRMAPK1HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050471-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF SULFINIC ACIDS, METHODS OF SYNTHESIS, AND USE XENOPORT, INC. (US) 2006-05-11 WO disclosed