SCHEMBL27907765

SCHEMBL27907765

CC(=O)Cc1ccc(O)c(O)c1.CC(=O)Cc1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.67
HSD17B10 Q99714 6/20 0.67
HIF1A Q16665 5/20 0.67
HPGD P15428 5/20 0.67
MAPT P10636 4/20 0.67
BLM P54132 4/20 0.67
TDP1 Q9NUW8 4/20 0.67
LMNA P02545 3/20 0.67
POLB P06746 3/20 0.67
PMP22 Q01453 3/20 0.67
NFKB1 P19838 2/20 0.67
THPO P40225 2/20 0.67
GAA P10253 2/20 0.67
APEX1 P27695 2/20 0.67
RGS12 O14924 1/20 0.67
TSHR P16473 1/20 0.67
GNAI1 P63096 1/20 0.67
TRPA1 O75762 2/20 0.56
ALDH1A1 P00352 4/20 0.55
PTGS1 P23219 2/20 0.55

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
SCHEMBL1070431 1.00 KDM4E (0.67) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL4023960 0.83 ESR1 (0.61) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL22982989 0.82 KDM4E (0.72) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL31618868 0.82 KDM4E (0.72) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL10414022 0.82 TRPA1 (0.60) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL7854613 0.82 TRPA1 (0.60) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL5271301 0.82 HDAC1 (0.53) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL19420576 0.82 THRB (0.46) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL7148985 0.82 CA2 (0.70) KDM4EHSD17B10HIF1AHPGDMAPT
SCHEMBL5702050 0.82 GAA (0.46) KDM4EHSD17B10HIF1AHPGDMAPT

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
CN-1845728-B Pharmaceutical compositions and method of using levodopa and carbidopa TRANSFORM PHARMACEUTICALS INC 2013-06-19 CN disclosed