SCHEMBL3886494

SCHEMBL3886494

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ACE P12821 3/20 0.36
MME P08473 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
TET2 Q6N021 3/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
SLC7A5 Q01650 1/20 0.31
TP53 P04637 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRM1 Q13255 1/20 0.30
GRM2 Q14416 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 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
SCHEMBL152857 0.81 ALDH1A1 (0.45) ALDH1A1ACEMMECPA1ACE2
SCHEMBL28314578 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL28314581 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL28315652 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
Ethane SCHEMBL6156725 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21269449 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21269432 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL21269835 0.79 ALDH1A1 (0.43) ALDH1A1ACEMMECPA1ACE2
SCHEMBL2935525 0.77 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL2517724 0.77 TP53 (0.36) TET2TET3TET1SLC7A5TP53

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
US-7550206-B2 Phosphonic acid-modified microgel dispersion BOLLIG & KEMPER GMBH & CO. KG (DE) 2009-06-23 US disclosed
US-20060128887-A1 Phosphonic acid-modified microgel dispersion BOLLIG & KEMPER GMBH & CO. KG (DE) 2006-06-15 US disclosed