SCHEMBL29875700

SCHEMBL29875700

CCC(=O)Cc1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
SIRT5 Q9NXA8 1/20 0.50
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ACP3 P15309 1/20 0.49
VNN1 O95497 1/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
HPGD P15428 1/20 0.48
PTGER4 P35408 1/20 0.48

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
SCHEMBL4070603 1.00 TDP1 (0.65) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL28879925 0.90 TDP1 (0.53) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL7565966 0.88 TDP1 (0.74) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL30774302 0.88 TDP1 (0.74) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL7196924 0.87 TDP1 (0.62) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL29875565 0.87 TDP1 (0.62) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL28879878 0.84 TDP1 (0.46) TDP1ATML3MBTL1KMT2AMEN1
Propionic Acid SCHEMBL28091563 0.84 TDP1 (0.86) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL31204231 0.83 TDP1 (0.67) TDP1ATML3MBTL1KMT2AMEN1
SCHEMBL8400463 0.82 IAPP (0.58) TDP1ACP3KDM4ECYP1A2CYP2C19

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