SCHEMBL29796261

SCHEMBL29796261

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
POLA1 P09884 1/20 0.55
HCAR2 Q8TDS4 6/20 0.52
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
TSHR P16473 6/20 0.43
TP53 P04637 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12568561 0.82 TSHR (0.64) POLBHCAR2GAATSHRTP53
Dimethyl Succinate SCHEMBL28648367 0.80 TSHR (0.68) HCAR2GAAMGAMSIMGAM2
SCHEMBL11551166 0.78 POLB (0.52) POLBPOLA1HCAR2GAAMGAM
SCHEMBL6284324 0.76 POLB (0.50) POLBPOLA1HCAR2GAAMGAM
SCHEMBL28057955 0.74 POLB (0.53) POLBPOLA1HCAR2GAAMGAM
Maleic Acid SCHEMBL27875761 0.74 TSHR (0.59) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28909540 0.74 POLB (0.48) POLBPOLA1HCAR2GAAMGAM
SCHEMBL1225122 0.74 TSHR (0.53) POLBHCAR2GAATSHRTP53
SCHEMBL2780998 0.74 TSHR (0.53) POLBHCAR2GAATSHRTP53
SCHEMBL2780997 0.74 TSHR (0.53) POLBHCAR2GAATSHRTP53

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
EP-4032900-A1 NEW ENZYMES AND METHODS FOR VANILLIC ACID-RELATED METABOLIC PATHWAYS Koninklijke Nederlandse Akademie van Wetenschappen (NL) 2022-07-27 EP disclosed