SCHEMBL27593283

SCHEMBL27593283

CCC(=O)OC1(CCCCl)Cc2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNK3 O14649 1/20 0.33
SLC2A1 P11166 1/20 0.33
CYP3A4 P08684 1/20 0.33
FGFR1 P11362 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL27593324 0.85 KDM4E (0.39) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL4853328 0.77 HSD17B10 (0.39) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL13987169 0.76 KDM4E (0.43) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL6620892 0.74 CA1 (0.35) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL13987170 0.74 KDM4E (0.43) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL6619595 0.74 CA1 (0.35) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL13988029 0.66 KDM4E (0.45) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL8938822 0.65 ALDH1A1 (0.51) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL4853762 0.64 HSD17B10 (0.38) KDM4ELMNAKMT2AALDH1A1CA1
SCHEMBL5191875 0.64 CA1 (0.44) KDM4ELMNAKMT2AALDH1A1CA1

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
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed