SCHEMBL11880901

SCHEMBL11880901

CC(CC(=O)O)n1cccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.36
PTGS2 P35354 2/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
IL1B P01584 1/20 0.35
CASP1 P29466 1/20 0.35
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL11877985 0.81 TRIM24 (0.40) TRIM24TRIM33ATMALDH1A1PTGS2
SCHEMBL23865359 0.78 TRIM24 (0.46) TRIM24TRIM33ATMALDH1A1PTGS2
SCHEMBL11555051 0.78 TRIM24 (0.46) TRIM24TRIM33ATMALDH1A1PTGS2
SCHEMBL11327402 0.77 TRIM24 (0.44) TRIM24TRIM33ATML3MBTL1ALDH1A1
SCHEMBL11879956 0.75 TRIM24 (0.43) TRIM24TRIM33ATML3MBTL1ALDH1A1
SCHEMBL15331853 0.75 BCL2 (0.40) TRIM24TRIM33ATMPTGS2HSD17B10
SCHEMBL11876578 0.75 BCL2 (0.40) TRIM24TRIM33ATMPTGS2HSD17B10
SCHEMBL14079611 0.75 TRIM24 (0.40) TRIM24TRIM33ATML3MBTL1ALDH1A1
SCHEMBL10505467 0.75 TRIM24 (0.54) TRIM24TRIM33ATML3MBTL1ALDH1A1
SCHEMBL11556583 0.74 ATM (0.44) TRIM24TRIM33ATML3MBTL1ALDH1A1

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-3996940-A Tobacco product R. J. REYNOLDS TOBACCO COMPANY (US) 1976-12-14 US disclosed