SCHEMBL25254429

SCHEMBL25254429

COc1ccc(OC)c(/C=C(\CCc2ccccc2)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.60
▸ ALOX5 P09917 4/20 0.60
▸ PTGES O14684 3/20 0.60
▸ GAA P10253 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PSEN1 P49768 2/20 0.48
▸ JUN P05412 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL25254297 0.93 ALOX5 (0.64) PPARGALOX5PTGESGAAKDM4E
SCHEMBL11495602 0.83 KMT2A (0.51) PPARGALOX5PTGESGAAKDM4E
SCHEMBL11495603 0.83 KMT2A (0.51) PPARGALOX5PTGESGAAKDM4E
SCHEMBL25254374 0.79 ALOX5 (0.62) PPARGALOX5PTGESGAAALDH1A1
SCHEMBL25297359 0.79 ALOX5 (0.58) PPARGALOX5PTGESKDM4EALDH1A1
SCHEMBL25257077 0.78 MAPT (0.61) PPARGALOX5PTGESGAAKDM4E
SCHEMBL25257221 0.77 ALOX5 (0.65) PPARGALOX5PTGESGAAKDM4E
SCHEMBL25297025 0.77 MEN1 (0.53) PPARGALOX5PTGESGAAKDM4E
SCHEMBL7138832 0.74 JUN (0.58) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8558334 0.73 RAB9A (0.69) ALDH1A1POLBRAB9ANPC1MEN1

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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