SCHEMBL29952654

SCHEMBL29952654

COc1ccc(C=O)c(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
PDE10A Q9Y233 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
BRD9 Q9H8M2 2/20 0.39
BRD7 Q9NPI1 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NNMT P40261 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1534756 1.00 ERN1 (0.52) ERN1TDP1POLBPDE10AALDH1A1
SCHEMBL3571476 0.84 ALDH1A1 (0.55) ERN1TDP1POLBPDE10AALDH1A1
SCHEMBL28632784 0.83 ERN1 (0.40) ERN1TDP1POLBPDE10AALDH1A1
SCHEMBL2415421 0.82 PRKDC (0.40) ERN1TDP1POLBALDH1A1TRIM24
SCHEMBL9831052 0.82 ALDH1A1 (0.41) ERN1TDP1ALDH1A1TRIM24TYR
SCHEMBL29935910 0.82 NNMT (0.50) ERN1TDP1POLBPDE10AALDH1A1
SCHEMBL14032801 0.82 NNMT (0.50) ERN1TDP1POLBPDE10AALDH1A1
SCHEMBL28868578 0.81 ERN1 (0.42) ERN1TDP1POLBALDH1A1TRIM24
SCHEMBL23046187 0.80 ERN1 (0.42) ERN1TDP1POLBPDE10AALDH1A1
SCHEMBL28153665 0.80 ERN1 (0.46) ERN1TDP1POLBPDE10AALDH1A1

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
CN-115836075-A Aza-and aza-thio-coumarin derivatives for use in optically active devices 爱尔兰眼力健公司 2023-03-21 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed