SCHEMBL26628647

SCHEMBL26628647

CC(=O)Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MTNR1A P48039 7/20 0.43
ATM Q13315 1/20 0.42
MTNR1B P49286 5/20 0.41
MEN1 O00255 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL15542170 0.95 TDP1 (0.45) TDP1KDM4EALDH1A1GAASIRT5
SCHEMBL6616146 0.85 TDP1 (0.43) TDP1KDM4EALDH1A1GAASIRT5
SCHEMBL29706153 0.84 TDP1 (0.70) TDP1KDM4EALDH1A1GAAMTNR1A
SCHEMBL1629133 0.84 TDP1 (0.70) TDP1KDM4EALDH1A1GAAMTNR1A
SCHEMBL1567996 0.84 TDP1 (0.50) TDP1KDM4EALDH1A1GAASIRT5
SCHEMBL30716622 0.83 TDP1 (0.69) TDP1ALDH1A1SIRT5L3MBTL1ATM
SCHEMBL266575 0.83 TDP1 (0.69) TDP1ALDH1A1SIRT5L3MBTL1ATM
SCHEMBL31043020 0.83 IAPP (0.51) KDM4EALDH1A1GAAMTNR1AMTNR1B
SCHEMBL28879878 0.83 TDP1 (0.46) TDP1KDM4EALDH1A1GAASIRT5
SCHEMBL28972751 0.82 TDP1 (0.68) TDP1KDM4EALDH1A1GAAMTNR1A

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
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed