SCHEMBL11877985

SCHEMBL11877985

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ATM Q13315 1/20 0.37
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
PTGS2 P35354 1/20 0.34
IL1B P01584 1/20 0.32
CASP1 P29466 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL11880901 0.81 TRIM24 (0.42) TRIM24TRIM33ATMALDH1A1MAPT
SCHEMBL11871896 0.75 TRIM24 (0.39) TRIM24TRIM33ATMALDH1A1MEN1
SCHEMBL11555051 0.72 TRIM24 (0.46) TRIM24TRIM33ATMALDH1A1MEN1
SCHEMBL11556583 0.72 ATM (0.44) TRIM24TRIM33ATMALDH1A1PTGS2
SCHEMBL11879956 0.70 TRIM24 (0.43) TRIM24TRIM33ATMALDH1A1MEN1
SCHEMBL15331853 0.70 BCL2 (0.40) TRIM24TRIM33ATMMEN1MAPT
SCHEMBL11876578 0.70 BCL2 (0.40) TRIM24TRIM33ATMMEN1MAPT
SCHEMBL10505467 0.69 TRIM24 (0.54) TRIM24TRIM33ATMALDH1A1KMT2A
SCHEMBL11327402 0.68 TRIM24 (0.44) TRIM24TRIM33ATMALDH1A1MEN1
SCHEMBL3287201 0.68 ALDH1A1 (0.45) TRIM24TRIM33ATMALDH1A1KMT2A

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