SCHEMBL7095878

SCHEMBL7095878

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.44
TET3 O43151 1/20 0.44
TET1 Q8NFU7 1/20 0.44
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPT P10636 1/20 0.36
GPR84 Q9NQS5 5/20 0.35
THRB P10828 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ALDH1A1 P00352 2/20 0.34
AKR1B1 P15121 1/20 0.34
TP53 P04637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 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
SCHEMBL7709734 0.87 TET2 (0.41) TET2TET3TET1GRIK1GRIK2
SCHEMBL22623 0.84
SCHEMBL36381 0.84
SCHEMBL6916130 0.84 CES1 (0.50) CES2CES1GPR84THRBFNTA
SCHEMBL2578200 0.82 CES1 (0.48) CES2CES1GPR84THRBFNTA
SCHEMBL5053405 0.82 CES1 (0.48) CES2CES1GPR84THRBFNTA
Hydrochloric Acid SCHEMBL9902114 0.82 CES1 (0.48) CES2CES1GPR84THRBFNTA
Ethylene SCHEMBL7561864 0.82 CES1 (0.48) CES2CES1GPR84THRBFNTA
Bromide SCHEMBL30933210 0.82 CES1 (0.48) CES2CES1GPR84THRBFNTA
SCHEMBL29143542 0.82 CES1 (0.48) CES2CES1GPR84THRBFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752435-B1 Crosslinking of acrylate hot melt adhesives TESA AG (DE) 2003-09-03 EP disclosed
EP-0752435-A2 Crosslinking of acrylate hot melt adhesives Beiersdorf Aktiengesellschaft (DE) 1997-01-08 EP disclosed