SCHEMBL29127352

SCHEMBL29127352

O=C(O)C/C(C(=O)O)=C(\CC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.57
SRR Q9GZT4 1/20 0.57
FNTA P49354 2/20 0.56
FNTB P49356 2/20 0.56
TSHR P16473 4/20 0.41
KDM4E B2RXH2 2/20 0.41
EGLN1 Q9GZT9 3/20 0.38
LMNA P02545 3/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
OR51E2 Q9H255 3/20 0.35
FFAR3 O14843 1/20 0.35
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
KDM5B Q9UGL1 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL578968 1.00 LDHA (0.57) LDHASRRFNTAFNTBTSHR
SCHEMBL1855287 1.00 LDHA (0.57) LDHASRRFNTAFNTBTSHR
SCHEMBL17706738 0.85 FFAR3 (0.47) LDHASRRFNTAFNTBTSHR
SCHEMBL17706779 0.85 FFAR3 (0.47) LDHASRRFNTAFNTBTSHR
SCHEMBL17706737 0.85 FFAR3 (0.47) LDHASRRFNTAFNTBTSHR
SCHEMBL27911245 0.83 LDHA (0.47) LDHASRRFNTAFNTBTSHR
SCHEMBL11192828 0.83 LDHA (0.47) LDHASRRFNTAFNTBTSHR
SCHEMBL290310 0.81 GRIK1 (0.44) LDHASRRFNTAFNTBTSHR
SCHEMBL12026335 0.81 FNTA (0.54) LDHASRRFNTAFNTBTSHR
SCHEMBL12045514 0.78 FNTA (0.46) LDHASRRFNTAFNTBTSHR

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-114805101-B Recycling method of diethyl maleate tailing 深圳飞扬骏研新材料股份有限公司 2023-12-19 CN disclosed