SCHEMBL5507785

SCHEMBL5507785

CCOC(=O)c1c(CC(=O)O)[nH]c2ccc(O)c(-c3ccc(CC(=O)O)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.42
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CSF1R P07333 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP1A2 P05177 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL5506452 0.83 ALDH1A1 (0.48) ALOX5ALDH1A1HPGDGAAMAPT
SCHEMBL5504449 0.80 ALOX5 (0.39) ALOX5MAPTMEN1KMT2ACSF1R
SCHEMBL5505103 0.79 LMNA (0.39) ALOX5ALDH1A1HPGDGAAMAPT
SCHEMBL5266671 0.78 POLB (0.41) ALOX5ALDH1A1HPGDGAAMAPT
SCHEMBL5501345 0.78 POLB (0.42) ALOX5ALDH1A1HPGDGAAMAPT
SCHEMBL5512279 0.75 TLR9 (0.38) ALOX5ALDH1A1GAAMAPTAR
SCHEMBL334975 0.74 HSD17B10 (0.48) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL4780835 0.74 MAPT (0.55) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL5574004 0.73 KMT2A (0.39) LMNAKMT2ANEK1
SCHEMBL1414527 0.70 GAA (0.35) ALOX5ALDH1A1HPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed