SCHEMBL1894928

SCHEMBL1894928

CS(=O)(=O)OC(=O)CC(N)c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.41
BLM P54132 7/20 0.41
LMNA P02545 6/20 0.41
ADRA1A P35348 2/20 0.41
NR1I2 O75469 1/20 0.41
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 10/20 0.41
RECQL P46063 7/20 0.41
MAPT P10636 7/20 0.41
HIF1A Q16665 4/20 0.41
TSHR P16473 3/20 0.41
NFKB1 P19838 3/20 0.41
THPO P40225 3/20 0.41
HSD17B10 Q99714 3/20 0.41
APEX1 P27695 3/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
MTOR P42345 1/20 0.41
MAPK1 P28482 4/20 0.40

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
SCHEMBL8493378 0.79 CA12 (0.47) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL5846643 0.79 GBA1 (0.41) LMNAKMT2ACYP2C19
SCHEMBL5845490 0.79 GBA1 (0.41) LMNAKMT2ACYP2C19
SCHEMBL13395908 0.77 TDP1 (0.49) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL4965778 0.75 TDP1 (0.54) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL27681258 0.75 TDP1 (0.54) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL8289998 0.75 TDP1 (0.54) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL17599121 0.72 TDP1 (0.44) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL7947871 0.70 ESR1 (0.56) TDP1BLMLMNAADRA1ANR1I2
SCHEMBL17761381 0.70 TDP1 (0.49) TDP1BLMLMNAADRA1ANR1I2

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-2515876-A2 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF A LEVODOPA PRODRUG AND METHODS OF USE XenoPort, Inc. (US) 2012-10-31 EP disclosed
WO-2011056240-A2 PHARMACEUTICAL COMPOSITIONS AND ORAL DOSAGE FORMS OF A LEVODOPA PRODRUG AND METHODS OF USE XENOPORT, INC. (US) 2011-05-12 WO disclosed