SCHEMBL4558535

SCHEMBL4558535

CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 1.00
GAA P10253 3/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
MAPK10 P53779 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTGES O14684 1/20 0.54

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
SCHEMBL4317803 0.91 ALOX5 (1.00) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL6796057 0.82 ALOX5 (0.76) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL7826782 0.80 ALOX5 (0.81) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL7826833 0.79 GAA (0.75) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL7816219 0.75 GAA (0.68) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL7831253 0.74 ALOX5 (0.67) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL31286098 0.74 GAA (1.00) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL2005093 0.74 GAA (1.00) ALOX5GAAKDM4EMEN1ALDH1A1
SCHEMBL4557751 0.74 ALOX5 (1.00) ALOX5PTGES
SCHEMBL11198914 0.72 ALOX5 (0.56) ALOX5MEN1ALDH1A1LMNAMAPT

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
WO-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 WO disclosed