SCHEMBL11074175

SCHEMBL11074175

CC(=O)c1occ(C)c(=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
LMNA P02545 1/20 0.31
NQO1 P15559 1/20 0.31
POR P16435 1/20 0.31
HTT P42858 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6855931 0.74 NQO1 (0.31) NQO1POR
SCHEMBL2865050 0.74 MEN1 (0.34) KDM4ELMNAALDH1A1
SCHEMBL8869893 0.69 MCL1 (0.38) KDM4ELMNANQO1POR
SCHEMBL1940732 0.68 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL20875674 0.68 MKNK2 (0.33) NQO1POR
SCHEMBL8073062 0.65 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL25332706 0.65 KDM4E (0.55) KDM4ELMNAALDH1A1
SCHEMBL8066761 0.63 L3MBTL1 (0.44) KDM4ELMNAALDH1A1
SCHEMBL21811734 0.61 NQO1 (0.35) KDM4ENQO1PORALDH1A1
SCHEMBL5319584 0.61

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-4452932-A Inhibition of ester-carbonate interchange in polyester-polycarbonate blends GENERAL ELECTRIC COMPANY (US) 1984-06-05 US disclosed