SCHEMBL29950830

SCHEMBL29950830

CSc1ccc(O)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
BACE1 P56817 1/20 0.39
ERN1 O75460 6/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL29954894 0.84 TYR (0.43) TYRTRIM24TRIM33BACE1ERN1
SCHEMBL19445596 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBGAATDP1
SCHEMBL31050324 0.76 ERN1 (0.52) ERN1ALDH1A1
SCHEMBL7820970 0.76 ERN1 (0.52) ERN1ALDH1A1TDP1HPGDHSD17B10
SCHEMBL30033864 0.76 ALDH1A1 (0.42) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL7826405 0.76 ALDH1A1 (0.42) ERN1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1017248 0.76 ERN1 (0.52) ERN1ALDH1A1
SCHEMBL10075211 0.75 TMEM97 (0.37) TYRTRIM24TRIM33BACE1ERN1
SCHEMBL28667906 0.75 ALDH1A1 (0.45) TYRTRIM24TRIM33ERN1ALDH1A1
SCHEMBL2481401 0.73 HSD17B10 (0.36) TYRESR1ESR2ALDH1A1MAPT

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