SCHEMBL4977924

SCHEMBL4977924

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
XDH P47989 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6475260 0.90 CA12 (0.49) CA12CA1CA2CA7XDH
SCHEMBL6473741 0.87 CA12 (0.47) CA12CA1CA2CA7XDH
SCHEMBL6471904 0.87 CA12 (0.47) CA12CA1CA2CA7XDH
SCHEMBL6471646 0.85 ALDH1A1 (0.46) CA12CA1CA2CA7XDH
SCHEMBL6473337 0.85 XDH (0.47) CA12CA1CA2CA7XDH
SCHEMBL6471350 0.85 CA12 (0.47) CA12CA1CA2CA7XDH
SCHEMBL6471482 0.83 ALDH1A1 (0.44) CA12CA1CA2CA7XDH
SCHEMBL6472993 0.82 CA12 (0.49) CA12CA1CA2CA7XDH
SCHEMBL6472603 0.81 KDM4E (0.40) CA12CA1CA2CA7XDH
SCHEMBL6471366 0.79 KDM4E (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed