SCHEMBL25254297

SCHEMBL25254297

COc1ccc(OC)c(/C=C(\CCCc2ccccc2)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.64
▸ PTGES O14684 6/20 0.64
▸ PPARG P37231 5/20 0.64
▸ POLB P06746 1/20 0.58
▸ PSEN1 P49768 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL25254429 0.93 PPARG (0.60) ALOX5PTGESPPARGPOLBPSEN1
SCHEMBL25253207 0.80 ALOX5 (0.67) ALOX5PTGESPPARGPOLBALDH1A1
SCHEMBL25260549 0.80 PTGES (0.62) ALOX5PTGESPPARGPOLBALDH1A1
SCHEMBL11495602 0.79 KMT2A (0.51) ALOX5PTGESPPARGPOLBALDH1A1
SCHEMBL11495603 0.79 KMT2A (0.51) ALOX5PTGESPPARGPOLBALDH1A1
SCHEMBL25250978 0.79 MAPT (0.56) ALOX5PTGESPPARGPOLBALDH1A1
SCHEMBL25296313 0.78 ALOX5 (0.59) ALOX5PTGESPPARGALDH1A1KDM4E
SCHEMBL25302980 0.76 ALOX5 (0.65) ALOX5PTGESPPARGPOLBALDH1A1
SCHEMBL20914994 0.74 AKR1B10 (0.69) ALOX5ALDH1A1KDM4EGAA
SCHEMBL30449408 0.74 AKR1B10 (0.69) ALOX5ALDH1A1KDM4EGAA

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
Send feedback