SCHEMBL14845458

SCHEMBL14845458

COc1ccc(C(=O)C(=O)OOC(=O)C(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.75
CES1 P23141 2/20 0.75
MAPT P10636 2/20 0.62
CA1 P00915 6/20 0.59
CA2 P00918 6/20 0.59
PARP10 Q53GL7 2/20 0.57
PARP1 P09874 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
PARP4 Q9UKK3 1/20 0.57
PLK1 P53350 1/20 0.53
GSK3B P49841 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52

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
SCHEMBL14845451 0.89 MAPT (0.71) CES2CES1MAPTCA1CA2
SCHEMBL2122107 0.87 CES2 (0.75) CES2CES1MAPTCA1CA2
SCHEMBL14845467 0.86 CES2 (0.56) CES2CES1MAPTCA1CA2
SCHEMBL14507040 0.86 CES2 (1.00) CES2CES1MAPTCA1CA2
SCHEMBL557152 0.86 CES2 (1.00) CES2CES1MAPTCA1CA2
SCHEMBL14845422 0.85 CES2 (0.72) CES2CES1MAPTCA1CA2
SCHEMBL29548151 0.84 CES2 (0.95) CES2CES1MAPTCA1CA2
SCHEMBL7639918 0.80 CES2 (0.64) CES2CES1MAPTCA1CA2
SCHEMBL8752589 0.80 CES2 (0.64) CES2CES1MAPTCA1CA2
SCHEMBL906436 0.80 CES2 (0.64) CES2CES1MAPTCA1CA2

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-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed