SCHEMBL9719672

SCHEMBL9719672

O=C(O)c1ccc(C(=O)OC(=O)c2ccc(C(=O)O)cc2C(=O)O)c(C(=O)O)c1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
POLB P06746 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MYC P01106 1/20 0.43
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL22457 0.98 KDM4E (0.53) KDM4EHSD17B10CDC25ACDC25BPOLB
Ammonia Solution, Strong SCHEMBL3951628 0.96 KDM4E (0.52) KDM4EHSD17B10CDC25ACDC25BPOLB
Hydrochloric Acid SCHEMBL347000 0.96 KDM4E (0.52) KDM4EHSD17B10CDC25ACDC25BPOLB
SCHEMBL9789528 0.96 KDM4E (0.56) KDM4EHSD17B10CDC25ACDC25BPOLB
Bromide SCHEMBL8174299 0.96 KDM4E (0.52) KDM4EHSD17B10CDC25ACDC25BPOLB
SCHEMBL29436298 0.94 KDM4E (0.50) KDM4EHSD17B10CDC25ACDC25BPOLB
SCHEMBL29979349 0.94 KDM4E (0.50) KDM4EHSD17B10CDC25ACDC25BPOLB
Urea SCHEMBL5149485 0.92 KDM4E (0.49) KDM4EHSD17B10CDC25ACDC25BPOLB
Acetic Acid SCHEMBL22444416 0.92 KDM4E (0.49) KDM4EHSD17B10CDC25ACDC25BPOLB
Cyanide SCHEMBL9847521 0.92 KDM4E (0.49) KDM4EHSD17B10CDC25ACDC25BPOLB

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-5175354-A Reacting the potassium salt with benzenecarboxylic acid NIPPON STEEL CHEMICAL CO., LTD. (JP) 1992-12-29 US disclosed