SCHEMBL29952836

SCHEMBL29952836

CCc1cc(O)ccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
ESRRB O95718 1/20 0.44
ESRRA P11474 1/20 0.44
HSD17B3 P37058 1/20 0.40
ERN1 O75460 2/20 0.39
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
APP P05067 1/20 0.38
TTR P02766 1/20 0.38
HSP90AB1 P08238 1/20 0.37
BACE1 P56817 1/20 0.37
HSD17B1 P14061 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
SCHEMBL1838722 1.00 TYR (0.44) TYRTRIM24TRIM33ESR1ESR2
SCHEMBL3429791 0.86 HSD17B3 (0.44) TYRTRIM24TRIM33ESR1ESR2
Methyl Alcohol SCHEMBL27892221 0.85 HSD17B3 (0.43) TYRTRIM24TRIM33ESR1ESR2
SCHEMBL3431324 0.83 TYR (0.56) TYRTRIM24TRIM33ESR1ESR2
SCHEMBL29951036 0.83 SRC (0.44) TYRTRIM24TRIM33ESR1ESR2
SCHEMBL6898737 0.83 SRC (0.44) TYRTRIM24TRIM33ESR1ESR2
SCHEMBL5527536 0.83 TYR (0.40) TYRTRIM24TRIM33ESR1ESR2
SCHEMBL3427353 0.82 ALOX5 (0.56) TYRESR1
SCHEMBL11769499 0.82 TTR (0.41) TYRTRIM24TRIM33ERN1ALDH5A1
SCHEMBL5382204 0.82 ESR1 (0.42) TYRESR1ESR2ESRRBESRRA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed