SCHEMBL25259728

SCHEMBL25259728

O=C(O)/C(=C/c1cc(O)cc(O)c1)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.54
PTGES O14684 2/20 0.54
PPARG P37231 2/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
ALDH1A1 P00352 3/20 0.46
KEAP1 Q14145 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
APP P05067 1/20 0.43
FFAR1 O14842 2/20 0.43
CBS P35520 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
HDAC2 Q92769 1/20 0.41

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
SCHEMBL25302418 0.91 PTGES (0.58) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL25301706 0.88 ALDH1A1 (0.56) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL25256792 0.86 CYP3A4 (0.56) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL19437149 0.85 CYP3A4 (0.68) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL19437161 0.85 CYP3A4 (0.68) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL584959 0.85 CYP3A4 (0.68) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL25257221 0.83 ALOX5 (0.65) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL25254374 0.82 ALOX5 (0.62) ALOX5PTGESPPARGCYP3A4CYP2C9
SCHEMBL15263105 0.82 ALOX15 (0.52) ALOX5CYP3A4CYP2C9GAAMAPT
SCHEMBL1893128 0.82 ALOX15 (0.52) ALOX5CYP3A4CYP2C9GAAMAPT

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 claimed