SCHEMBL16784591

SCHEMBL16784591

C=CC(=O)c1ccc(O)c(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
PKM P14618 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EGFR P00533 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
JAK1 P23458 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKT1 P31749 1/20 0.42

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
SCHEMBL7295677 0.81 PKM (0.57) PKMMAPTGPBAR1HTTPOLB
SCHEMBL12040090 0.79 MAPT (0.44) PKMMEN1KMT2AMAPTKDM4E
SCHEMBL2221664 0.79 ALDH5A1 (0.59) ALDH5A1ABATPKMMEN1KMT2A
SCHEMBL20869224 0.78 ALDH5A1 (0.53) ALDH5A1ABATPKMMEN1KMT2A
SCHEMBL1162134 0.77 KDM4E (0.59) PKMMEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL15861834 0.77 ALDH5A1 (0.57) ALDH5A1ABATPKMMEN1KMT2A
SCHEMBL29956901 0.77 KDM4E (0.59) PKMMEN1KMT2AMAPTKDM4E
SCHEMBL14254335 0.77 MAPT (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13435133 0.75 HSD17B10 (0.55) ALDH5A1ABATPKMMEN1KMT2A
SCHEMBL12240722 0.74 ALDH5A1 (0.64) ALDH5A1ABATPKMMEN1KMT2A

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
US-9051244-B2 Depolymerization of lignin using solid acid catalysts COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-09 US disclosed