SCHEMBL2360898

SCHEMBL2360898

CCCC[CH]C(O)CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
TRPA1 O75762 1/20 0.42
DDAH1 O94760 1/20 0.42
GAPDH P04406 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARG P37231 2/20 0.35
GPR132 Q9UNW8 1/20 0.35
DNM1 Q05193 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FDPS P14324 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34

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
SCHEMBL4552804 0.93 TRPA1 (0.50) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL28300366 0.90 ACHE (0.42) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL27828958 0.86 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL8437504 0.86 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL27644434 0.86 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL8434341 0.86 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL28852289 0.86 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL11517580 0.86 ALDH1A1 (0.38) ACHEBACE1TRPA1DDAH1GAPDH
SCHEMBL28131157 0.86 TRPA1 (0.48) TRPA1DDAH1GAPDHMAPTPPARG
SCHEMBL289814 0.84

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-108587989-A A kind of bacterial strain and production method for producing 3- hydroxydecanoic acids 中国科学院微生物研究所 2018-09-28 CN disclosed
WO-2016187050-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5]OXADIAZOLO[3',4':5,6] PYRAZIONO[2,3-B]INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-11-24 WO disclosed
US-20140335578-A1 INTEGRATED BIODIESEL PROCESS WILLIAM MARSH RICE UNIVERSITY (US) 2014-11-13 US disclosed
US-20110195505-A1 BACTERIAL STRAINS FOR BUTANOL PRODUCTION BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2011-08-11 US disclosed
WO-2004006657-A1 TRANSGENIC PLANTS USED AS A BIOREACTOR SYSTEM BUREAU OF SUGAR EXPERIMENT STATIONS (AU) 2004-01-22 WO disclosed