SCHEMBL7709734

SCHEMBL7709734

C=C(CC(C)C)C(=O)O.C=C(CCCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.41
TET3 O43151 1/20 0.41
TET1 Q8NFU7 1/20 0.41
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRM1 Q13255 1/20 0.39
GRM2 Q14416 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
THRB P10828 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
ALDH1A1 P00352 3/20 0.35
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 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
SCHEMBL1534223 0.94 AKR1B1 (0.43) TET2CES2CES1THRBFNTA
SCHEMBL17360781 0.92 TET2 (0.35) TET2TET3TET1GRIK1GRIK2
SCHEMBL4387812 0.88 TET2 (0.43) TET2TET3TET1GRIK1GRIK2
SCHEMBL15770418 0.88 THRB (0.39) THRBFNTAFNTBPGGT1BALDH1A1
SCHEMBL7095878 0.87 TET2 (0.44) TET2TET3TET1GRIK1GRIK2
SCHEMBL9067124 0.86 THRB (0.38) THRBFNTAFNTBPGGT1BALDH1A1
SCHEMBL6916130 0.85 CES1 (0.50) CES2CES1THRBFNTAFNTB
SCHEMBL22623 0.85
SCHEMBL9501863 0.85 CA1 (0.39) CES2CES1THRBFNTAFNTB
SCHEMBL2578200 0.83 CES1 (0.48) CES2CES1THRBFNTAFNTB

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
EP-2033991-B1 WATER BASED EMULSION AND USE THEREOF NIPPON SYNTHETIC CHEM IND (JP) 2016-06-22 EP disclosed
US-6376559-B1 SILICA SOL IN SOLVENT BASF NOF COATINGS CO., LTD. (JP) 2002-04-23 US disclosed
US-5922633-A THERMAL LATENT ACID CATALYST CONSISTS OF AN EPOXY COMPOUND, A SULFUR COMPOUND AND LEWIS ACID NOF CORPORATION (JP) 1999-07-13 US disclosed
EP-0517028-B1 Powder coating and its use BAYER AG (DE) 1995-09-27 EP disclosed
EP-0517028-A2 Powder coating and its use BAYER AG (DE) 1992-12-09 EP disclosed