SCHEMBL6473741

SCHEMBL6473741

COC(=O)c1ccc(OC)c(-c2c(O)cc(C)[nH]c2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.45
CNR2 P34972 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 3/20 0.41
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
HSD17B2 P37059 1/20 0.40
P4HB P07237 1/20 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
SCHEMBL4977924 0.87 CA12 (0.49) CA12CA1CA2CA7XDH
SCHEMBL6471904 0.85 CA12 (0.47) CA12CA1CA2CA7XDH
SCHEMBL6475260 0.85 CA12 (0.49) CA12CA1CA2CA7XDH
SCHEMBL6471350 0.82 CA12 (0.47) CA12CA1CA2CA7XDH
SCHEMBL6473337 0.82 XDH (0.47) CA12CA1CA2CA7XDH
SCHEMBL6472993 0.80 CA12 (0.49) CA12CA1CA2CA7XDH
SCHEMBL6472603 0.79 KDM4E (0.40) CA12CA1CA2CA7XDH
SCHEMBL6471366 0.77 KDM4E (0.38) CA12CA1CA2CA7XDH
SCHEMBL6471298 0.77 ERN1 (0.49) CA12CA1CA2CA7XDH
SCHEMBL6471654 0.76 CNR2 (0.55) CA12CA1CA2CA7XDH

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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed