SCHEMBL25253207

SCHEMBL25253207

COc1cc(/C=C(\CCCc2ccccc2)C(=O)O)cc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.67
▸ PTGES O14684 2/20 0.67
▸ PPARG P37231 2/20 0.67
▸ PLAAT3 P53816 2/20 0.49
▸ PLAAT5 Q96KN8 2/20 0.49
▸ PLAAT2 Q9NWW9 2/20 0.49
▸ PLAAT4 Q9UL19 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ POLB P06746 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP24A1 Q07973 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ MAPK1 P28482 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
SCHEMBL25254374 0.92 ALOX5 (0.62) ALOX5PTGESPPARGPLAAT3PLAAT5
SCHEMBL25296313 0.85 ALOX5 (0.59) ALOX5PTGESPPARGPLAAT3PLAAT5
SCHEMBL25302418 0.83 PTGES (0.58) ALOX5PTGESPPARGPLAAT3PLAAT5
SCHEMBL3251669 0.81 CYP3A4 (0.64) ALOX5PTGESPPARGPLAAT3PLAAT5
SCHEMBL25302980 0.80 ALOX5 (0.65) ALOX5PTGESPPARGALDH1A1POLB
SCHEMBL25250978 0.80 MAPT (0.56) ALOX5PTGESPPARGPLAAT3PLAAT5
SCHEMBL25254297 0.80 ALOX5 (0.64) ALOX5PTGESPPARGALDH1A1POLB
SCHEMBL25297025 0.76 MEN1 (0.53) ALOX5PTGESPPARGALDH1A1POLB
SCHEMBL25257221 0.76 ALOX5 (0.65) ALOX5PTGESPPARGALDH1A1GAA
SCHEMBL25302225 0.76 CYP3A4 (0.53) ALOX5PTGESPPARGPLAAT3PLAAT5

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
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