SCHEMBL5506447

SCHEMBL5506447

CCOC(=O)Cc1[nH]c2ccc(-c3ccccc3O)cc2c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.53
GAA P10253 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK10 P53779 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGES O14684 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 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
SCHEMBL5506452 0.75 ALDH1A1 (0.48) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL14865005 0.72 ALOX5 (0.56) ALOX5GAAKDM4EALDH1A1LMNA
SCHEMBL15655586 0.71 KDM4E (0.52) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL7826833 0.70 GAA (0.75) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL16669624 0.70 KDM4E (0.57) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL7826782 0.70 ALOX5 (0.81) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL5504449 0.69 ALOX5 (0.39) ALOX5MEN1MAPTKMT2A
SCHEMBL5505103 0.69 LMNA (0.39) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL4534138 0.69 KDM4E (0.55) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL728638 0.69 KDM4E (0.55) ALOX5GAAKDM4EMEN1ALDH1A1

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