SCHEMBL20143333

SCHEMBL20143333

Cc1ncc(CO)c(COC(=O)CO)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 4/20 0.56
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AOX1 Q06278 1/20 0.48
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PDXK O00764 2/20 0.44
GAA P10253 2/20 0.43
HDAC1 Q13547 2/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL20143334 0.93 HPGD (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL16769248 0.90 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5346682 0.88 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL28085869 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL16769247 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
Ginkgotoxin SCHEMBL29462283 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
Ginkgotoxin SCHEMBL9127650 0.80 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11332813 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
Ginkgotoxin SCHEMBL1848430 0.78 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL5346680 0.78 KDM4E (0.80) KDM4EALDH1A1HPGDHSD17B10LMNA

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
US-9968684-B2 Polymer-NSAID conjugate POLYACTIVA PTY LTD (AU) 2018-05-15 US disclosed