SCHEMBL28831276

SCHEMBL28831276

O=C(O)C(=O)CCCC(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 2/20 0.43
MAPK1 P28482 1/20 0.43
SLC13A3 Q8WWT9 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
TET2 Q6N021 3/20 0.33
KDM4A O75164 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
TET3 O43151 1/20 0.33
NFKB1 P19838 1/20 0.33
ENPEP Q07075 2/20 0.32
GSTK1 Q9Y2Q3 2/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32

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
SCHEMBL14262191 0.83 OR51E2 (0.48) OR51E2MAPK1SLC13A3EGLN1TET2
SCHEMBL1258357 0.78
SCHEMBL2171421 0.77 CA1 (0.48) OR51E2MAPK1SLC13A3EGLN1KDM4A
SCHEMBL16554876 0.76 OR51E2 (0.59) OR51E2MAPK1SLC13A3EGLN1NFKB1
SCHEMBL1401880 0.75 TET2 (0.43) TET2KDM4AKDM4CKDM2ATET3
Alpha-Ketoglutaric Acid SCHEMBL21986798 0.75 FFAR4 (0.55) OR51E2MAPK1SLC13A3EGLN1HDAC11
SCHEMBL28912697 0.74 TET2 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL10959418 0.74 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1NFKB1
SCHEMBL10962384 0.74 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1NFKB1
SCHEMBL10958653 0.74 OR51E2 (0.56) OR51E2MAPK1SLC13A3EGLN1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105745327-A High-yield route for producing compounds from renewable resources 兹莫克姆有限公司 2016-07-06 CN disclosed