SCHEMBL25826288

SCHEMBL25826288

COc1cccc(CC(C)C(=O)OCCc2ccccc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 3/20 0.46
PTGES O14684 1/20 0.46
PPARG P37231 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL490661 0.89 ABCB1 (0.51) ABCB1ABCG2CTSGCMA1ALDH1A1
SCHEMBL25826919 0.82 ALOX5 (0.53) ALDH1A1ALOX5HPGD
SCHEMBL490312 0.80 ALOX5 (0.62) ABCB1ABCG2CTSGCMA1ALOX5
SCHEMBL490311 0.80 ALOX5 (0.47) ABCB1ABCG2ALOX5KDM4E
SCHEMBL490447 0.79 POLB (0.47) ALDH1A1ALOX5KDM4EHPGD
SCHEMBL490982 0.76 ALOX5 (0.48) ALDH1A1ALOX5KDM4EHPGD
SCHEMBL29232860 0.75 TSHR (0.58) ALDH1A1HPGD
SCHEMBL490595 0.75 ALOX5 (0.47) ALOX5KDM4E
SCHEMBL490577 0.75 ALOX5 (0.47) ALOX5KDM4E
SCHEMBL8875136 0.75 PTGES (0.58) ALOX5PTGESPPARG

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-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP disclosed