SCHEMBL20143334

SCHEMBL20143334

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AOX1 Q06278 1/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ESR1 P03372 1/20 0.39
PTGS1 P23219 1/20 0.39
ACP1 P24666 1/20 0.39
PDE4A P27815 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
PDXK O00764 1/20 0.39
PNPO Q9NVS9 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL20143333 0.93 KDM4E (0.61) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5346682 0.93 KDM4E (0.61) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL16769247 0.90 ALDH1A1 (0.40) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL1546086 0.84 KDM4E (0.49) HPGDALDH1A1KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL1546007 0.83 KDM4E (0.47) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL16769248 0.83 KDM4E (0.49) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL483438 0.81 DGKA (0.43) HPGDALDH1A1KDM4EHSD17B10HDAC1
SCHEMBL21916335 0.81 PNPO (0.41) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL31746196 0.81 PNPO (0.41) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2905259 0.81 DGKA (0.43) HPGDALDH1A1KDM4EHSD17B10HDAC1

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