SCHEMBL25824433

SCHEMBL25824433

O=C(/C=C/c1cccc(O)c1)OCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 8/20 1.00
AKR1B1 P15121 8/20 1.00
ALOX5 P09917 3/20 0.67
MAOB P27338 1/20 0.64
TTR P02766 3/20 0.63
CYP3A4 P08684 2/20 0.63
ALOX15 P16050 2/20 0.63
ALOX12 P18054 2/20 0.63
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 2/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
GMNN O75496 1/20 0.63
ALDH1A1 P00352 1/20 0.63
EGFR P00533 1/20 0.63
ESR1 P03372 1/20 0.63
ERBB2 P04626 1/20 0.63
APP P05067 1/20 0.63
LCK P06239 1/20 0.63

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
SCHEMBL20915006 0.92 AKR1B10 (1.00) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL25302420 0.89 AKR1B10 (0.81) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL1532424 0.89 AKR1B10 (0.84) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL3249348 0.89 AKR1B10 (0.84) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL1532425 0.89 AKR1B10 (0.84) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL20914961 0.86 AKR1B10 (1.00) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL2602741 0.86 APP (0.85) AKR1B10AKR1B1ALOX5TTRCYP3A4
SCHEMBL22577485 0.82 ALOX5 (0.86) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL20915007 0.82 AKR1B10 (0.75) AKR1B10AKR1B1ALOX5MAOBTTR
SCHEMBL20604716 0.82 APP (0.83) AKR1B10AKR1B1ALOX5MAOBTTR

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