SCHEMBL11044892

SCHEMBL11044892

CC(=O)OC(=O)/C=C\C(=O)O.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.54
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.50
TP53 P04637 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GAA P10253 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
SCHEMBL9474617 0.97 HCAR2 (0.56) HCAR2ALDH1A1TSHRTP53EGLN1
SCHEMBL8760886 0.97 HCAR2 (0.56) HCAR2ALDH1A1TSHRTP53EGLN1
SCHEMBL8760880 0.97 HCAR2 (0.56) HCAR2ALDH1A1TSHRTP53EGLN1
Acetic Acid SCHEMBL29018083 0.87 ALDH1A1 (0.59) HCAR2ALDH1A1TSHRTP53EGLN1
SCHEMBL230634 0.87 ALDH1A1 (0.67) HCAR2ALDH1A1TSHRTDP1KDM4E
Fumaric Acid SCHEMBL8605709 0.87 ALDH1A1 (0.67) HCAR2ALDH1A1TSHRTP53EGLN1
Maleic Acid SCHEMBL27671940 0.87 ALDH1A1 (0.67) HCAR2ALDH1A1TSHRTP53EGLN1
SCHEMBL14152614 0.87 ALDH1A1 (0.67) HCAR2ALDH1A1TSHRTDP1KDM4E
SCHEMBL825979 0.87 ALDH1A1 (0.67) HCAR2ALDH1A1TSHRTDP1KDM4E
SCHEMBL9439601 0.84 HCAR2 (0.57) HCAR2ALDH1A1TSHRTP53EGLN1

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-4442422-A POLYVINYL ALCOHOL AND ELECTROLYTE, HYGROSCOPIC RESIN MURATA MANUFACTURING CO., LTD. (JP) 1984-04-10 US disclosed