SCHEMBL8259112

SCHEMBL8259112

CCC(C)(CC(C)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
ACE2 Q9BYF1 1/20 0.34
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ENPEP Q07075 2/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12762287 0.88 CYP2D6 (0.34) TSHRCYP2D6CYP2C19HIF1AGABRR1
SCHEMBL10065504 0.88 CYP2D6 (0.34) TSHRCYP2D6CYP2C19HIF1AGABRR1
SCHEMBL12363478 0.88 CYP2D6 (0.34) TSHRCYP2D6CYP2C19HIF1AGABRR1
SCHEMBL29054985 0.83 CYP2D6 (0.39) TSHRCYP2D6CYP2C19HIF1AGABRR1
SCHEMBL1716424 0.82 CYP2C19 (0.42) TSHRCYP2D6CYP2C19HIF1ACYP1A2
SCHEMBL3751590 0.82 CYP2D6 (0.35) TSHRCYP2D6CYP2C19HIF1AGABRR1
SCHEMBL15711664 0.82 MMP8 (0.35) GABRR1CYP1A2ACE2FOLH1NAALAD2
SCHEMBL27941875 0.81 CYP2D6 (0.60) TSHRCYP2D6CYP2C19HIF1AGABRR1
SCHEMBL13645728 0.80 CA1 (0.35) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL13252739 0.80 MMP8 (0.38) TSHRCYP2D6CYP2C19HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed
US-20110294053-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, IMAGE-FORMING APPARATUS, AND ELECTROPHOTOGRAPHIC CARTRIDGE MITSUBISHI CHEMICAL CORPORATION (JP) 2011-12-01 US disclosed
EP-2368908-A2 Anti- angiogenic compounds CovX Technologies Ireland Limited (IE) 2011-09-28 EP disclosed
EP-2292248-A2 Anti-angiogenic compounds CovX Technologies Ireland Limited (IE) 2011-03-09 EP disclosed
EP-2147684-A1 Diagnostic Agents Selective Against Metalloproteases Bracco Imaging S.p.A (IT) 2010-01-27 EP disclosed
WO-2008081418-A1 GLUCAGON-LIKE PROTEIN-1 RECEPTOR (GLP-1R) AGONIST COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2008-07-10 WO disclosed
WO-2008056346-A2 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2008-05-15 WO disclosed
WO-2006095234-A2 INTEGRIN TARGETED SYNTHETIC LIGANDS FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BRACCO IMAGING S.P.A. (IT) 2006-09-14 WO disclosed