SCHEMBL21024855

SCHEMBL21024855

COc1ccc(CCC(=O)Cc2ccccc2C(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.57
PPARA Q07869 2/20 0.57
KMT2A Q03164 3/20 0.53
ALOX5 P09917 3/20 0.50
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
REN P00797 1/20 0.48
CTSD P07339 1/20 0.48
APEX1 P27695 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
OR51E2 Q9H255 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FFAR4 Q5NUL3 1/20 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
SCHEMBL31123690 0.85 PPARG (0.62) PPARGPPARAKMT2APOLBAPEX1
SCHEMBL8071144 0.81 ALOX5 (0.60) KMT2AALOX5GAACYP2C9OR51E2
SCHEMBL3579994 0.79 ALOX5 (0.66) KMT2AALOX5POLBCYP2C9OR51E2
SCHEMBL2845251 0.77 HCAR2 (0.71) KMT2AALDH1A1
SCHEMBL10307841 0.76 ALOX5 (0.77) KMT2AALOX5POLBOR51E2ALDH1A1
SCHEMBL10879308 0.76 ALOX5 (0.66) KMT2AALOX5POLBRENCTSD
SCHEMBL30873144 0.75 GAA (0.55) PPARGPPARAKMT2AGAAAPEX1
SCHEMBL27183408 0.75 GAA (0.55) PPARGPPARAKMT2AGAAAPEX1
SCHEMBL8500981 0.75 ALOX5 (0.60) KMT2AALOX5CYP2C9OR51E2ALDH1A1
SCHEMBL347209 0.75 FFAR4 (0.61) KMT2AALOX5OR51E2ALDH1A1FFAR4

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
EP-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed