SCHEMBL2228459

SCHEMBL2228459

O=C(O)C=CC=CC(O)C(O)CCCCCCCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
FPR2 P25090 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
PPARG P37231 2/20 0.31
GPR132 Q9UNW8 1/20 0.31
PTPN1 P18031 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28080055 0.98 FPR2 (0.48) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL4566258 0.98 FPR2 (0.48) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL21552032 0.88 FPR2 (0.39) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL1506635 0.88 FPR2 (0.39) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL25332329 0.85 FPR2 (0.62) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL1958483 0.84 FPR2 (0.65) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL1958482 0.84 FPR2 (0.65) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL29256074 0.83 ACHE (0.67) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL21049245 0.83 ACHE (0.67) ACHEBACE1FPR2NFKB1NFKB2
SCHEMBL23647621 0.83 ACHE (0.67) ACHEBACE1FPR2NFKB1NFKB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117388389-A Composition and method for screening gastric ulcer resistant medicinal substances in three-ingredient manna powder 山东省科学院生物研究所 2024-01-12 CN disclosed
CN-114354785-B Comprehensive qualitative method for oxyresinol based on retention index and chemical derivatization mass spectrum characteristic secondary fragments 中国农业科学院油料作物研究所 2023-06-27 CN disclosed
WO-2011089265-A1 USE OF FATTY ACID COMPOUNDS FOR LOWERING BLOOD GLUCOSE LEVELS BRIDGE BIORESEARCH PLC (GB) 2011-07-28 WO disclosed
JP-2008156296-A METABOLIC SYNDROME AMELIORATOR SAPPORO BREWERIES LTD 2008-07-10 JP disclosed
WO-2006115214-A1 SOYBEAN MILK, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF HYDROXY UNSATURATED FATTY ACID HAVING 18 CARBON ATOMS SAPPORO BREWERIES LIMITED (JP) 2006-11-02 WO disclosed