SCHEMBL22128166

SCHEMBL22128166

COC(=O)/C=C\C=C(\O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 3/20 0.55
RECQL P46063 2/20 0.55
NFE2L2 Q16236 3/20 0.52
HCAR2 Q8TDS4 2/20 0.52
KEAP1 Q14145 1/20 0.52
MAPT P10636 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PTGS1 P23219 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TYR P14679 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GFPT1 Q06210 1/20 0.34
TTR P02766 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
SCHEMBL22128167 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL8582270 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL27970394 0.80 ALDH1A1 (0.58) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL24172328 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL823097 0.77 NFE2L2 (0.75) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL2944118 0.77 NFE2L2 (0.75) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL820946 0.77 NFE2L2 (0.75) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL821014 0.77 NFE2L2 (0.75) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL8145399 0.76 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10RECQLNFE2L2
SCHEMBL8144492 0.76 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10RECQLNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208642-B2 Microbial syringol utilization ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2021-12-28 US disclosed
US-20200199562-A1 MICROBIAL SYRINGOL UTILIZATION Alliance for Energy Innovation, LLC 2020-06-25 US disclosed