SCHEMBL28337239

SCHEMBL28337239

COc1ccc(C=O)c(O)c1.[Pd]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.96
TRIM24 O15164 1/20 0.96
TRIM33 Q9UPN9 1/20 0.96
ERN1 O75460 4/20 0.70
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.57
CYP1A1 P04798 1/20 0.57
CYP1B1 Q16678 1/20 0.57
AR P10275 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 2/20 0.50
GSK3B P49841 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL133876 0.98 TYR (1.00) TYRTRIM24TRIM33ERN1ALDH1A1
Hydrogen Sulfide SCHEMBL28156220 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL11420339 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL4456426 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL28150290 0.96 TYR (0.96) TYRTRIM24TRIM33ERN1ALDH1A1
Formamide SCHEMBL28559416 0.93 TYR (0.89) TYRTRIM24TRIM33ERN1ALDH1A1
Formaldehyde SCHEMBL28559418 0.93 TYR (0.89) TYRTRIM24TRIM33ERN1ALDH1A1
Alcohol SCHEMBL28458502 0.91 TYR (0.86) TYRTRIM24TRIM33ERN1ALDH1A1
Acetonitrile SCHEMBL29178537 0.90 TYR (0.83) TYRTRIM24TRIM33ERN1ALDH1A1
Bicarbonate SCHEMBL28156948 0.90 TYR (0.83) TYRTRIM24TRIM33ERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110506041-B Catalyst composition for production process of delta-lactone from carbon dioxide and 1, 3-butadiene PTT全球化学股份有限公司 2023-02-28 CN claimed
CN-110506041-A Carbon monoxide-olefin polymeric for the manufacturing method by carbon dioxide and 1,3- butadiene manufacture delta-lactone PTT GLOBAL CHEMICAL PUBLIC CO LTD 2019-11-26 CN claimed
CN-110506041-B Catalyst composition for production process of delta-lactone from carbon dioxide and 1, 3-butadiene PTT全球化学股份有限公司 2023-02-28 CN disclosed
CN-110506041-A Carbon monoxide-olefin polymeric for the manufacturing method by carbon dioxide and 1,3- butadiene manufacture delta-lactone PTT GLOBAL CHEMICAL PUBLIC CO LTD 2019-11-26 CN disclosed