SCHEMBL29639737

SCHEMBL29639737

CCC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.81
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
CTNNB1 P35222 6/20 0.64
WNT3A P56704 6/20 0.64
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 1/20 0.62
HPGD P15428 3/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL1092123 1.00 ATM (0.81) ATMMEN1KMT2ACTNNB1WNT3A
SCHEMBL1092875 0.89 ATM (1.00) ATMCTNNB1WNT3AALDH1A1HPGD
SCHEMBL16369471 0.88 ATM (0.63) ATMMEN1KMT2ACTNNB1WNT3A
SCHEMBL31490470 0.86 HPGD (0.82) ATMMEN1KMT2ACTNNB1WNT3A
SCHEMBL14144501 0.86 ATM (0.87) ATMKMT2ACTNNB1WNT3AALDH1A1
SCHEMBL3924051 0.86 HPGD (0.82) ATMMEN1KMT2ACTNNB1WNT3A
SCHEMBL29458253 0.85 MEN1 (0.76) ATMMEN1KMT2ACTNNB1WNT3A
SCHEMBL2237626 0.85 MEN1 (0.76) ATMMEN1KMT2ACTNNB1WNT3A
SCHEMBL26940453 0.85 ATM (0.90) ATMKMT2ACTNNB1WNT3AALDH1A1
SCHEMBL6486626 0.84 CTNNB1 (0.66) ATMMEN1KMT2ACTNNB1WNT3A

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-113490659-B Improved and economically viable process for preparing aryl ketones 安西娅芳香剂私人有限公司 2024-03-29 CN disclosed
CN-114502659-A Resin composition, resin sheet, cured film, method for producing cured film, semiconductor device, organic EL display device, and display device 东丽株式会社 2022-05-13 CN disclosed