SCHEMBL2233144

SCHEMBL2233144

CCCCC(=Cc1ccc(Oc2ccc(O)cn2)cc1C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.47
PSEN1 P49768 14/20 0.47
PTGES O14684 9/20 0.47
PPARG P37231 10/20 0.47

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
SCHEMBL2230608 0.85 MAPT (0.44) ALOX5PSEN1PTGESPPARG
SCHEMBL2233135 0.78 ESR1 (0.48)
SCHEMBL2233139 0.78 GRM2 (0.38) ALOX5PSEN1PTGES
SCHEMBL2232581 0.77 ALOX5 (0.42) ALOX5PSEN1PTGESPPARG
SCHEMBL2354427 0.76 ESR1 (0.52) PPARG
SCHEMBL13581749 0.76 ESR1 (0.52) PPARG
SCHEMBL2236531 0.75 ALOX5 (0.43) ALOX5PSEN1PTGESPPARG
SCHEMBL2233918 0.74 PSEN1 (0.51) ALOX5PSEN1PTGESPPARG
SCHEMBL2235546 0.73 ALOX5 (0.46) ALOX5PSEN1PTGESPPARG
SCHEMBL2231815 0.72 PSEN1 (0.51) ALOX5PSEN1PTGESPPARG

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-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO disclosed