SCHEMBL8808142

SCHEMBL8808142

COc1cccc2c(=O)c3cccc(C(=O)O)c3sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
HSD17B10 Q99714 1/20 0.49
HTT P42858 2/20 0.46
PDE10A Q9Y233 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CDC25B P30305 2/20 0.44
GAA P10253 2/20 0.44
PFKFB4 Q16877 1/20 0.43

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
SCHEMBL23226916 0.77 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL5866499 0.77 NR4A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL31083578 0.77 NR4A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL30998134 0.75 MAPT (0.54) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL29589251 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL5030886 0.75 MAPT (0.54) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL300219 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL31626799 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL25871284 0.75 CA2 (0.48) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL4103770 0.74 CDC25B (0.68) ALDH1A1KDM4EHPGDHSD17B10HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 EP disclosed
EP-0649410-A1 ANILIDE DERIVATIVES. GLAXO LAB SA (FR) 1995-04-26 EP disclosed
WO-1994001408-A1 ANILIDE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1994-01-20 WO disclosed