SCHEMBL28630441

SCHEMBL28630441

CC(=O)Cc1cccc2c1ccc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HPRT1 P00492 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL30716622 0.89 TDP1 (0.69) TDP1ALDH1A1SIRT5ATML3MBTL1
SCHEMBL266575 0.89 TDP1 (0.69) TDP1ALDH1A1SIRT5ATML3MBTL1
SCHEMBL27784108 0.84 TDP1 (0.79) TDP1ALDH1A1HPGDHPRT1ATM
SCHEMBL1781872 0.84 TDP1 (0.58) TDP1ALDH1A1HPGDHPRT1SIRT5
SCHEMBL10628907 0.84 TDP1 (0.79) TDP1ALDH1A1HPGDHPRT1ATM
SCHEMBL28879925 0.83 TDP1 (0.53) TDP1ALDH1A1MAPTHPGDHPRT1
SCHEMBL29875225 0.83 HPRT1 (0.48) TDP1ALDH1A1MAPTHPGDHPRT1
SCHEMBL28958198 0.82 TDP1 (0.51) TDP1ALDH1A1MAPTHPGDHPRT1
SCHEMBL28332298 0.80 KMT2A (0.53) TDP1ALDH1A1MAPTHPGDSIRT5
SCHEMBL2528231 0.80 HPRT1 (0.58) TDP1ALDH1A1MAPTHPGDHPRT1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114990005-B Phenanthrene-degrading composite flora and preparation method and application thereof 中国科学院生态环境研究中心 2023-09-26 CN disclosed
CN-116555067-A Sphingomonas, pseudomonas aeruginosa, microbial inoculum and application 中国农业大学 2023-08-08 CN disclosed
CN-109385282-B Composition for repairing arsenic-phenanthrene composite contaminated soil and application thereof 中国地质环境监测院 2023-07-07 CN disclosed
CN-114990005-A Phenanthrene-degrading composite flora and preparation method and application thereof 中国科学院生态环境研究中心 2022-09-02 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-113462609-B Mycobacterium for efficiently degrading polycyclic aromatic hydrocarbons and application thereof 中国科学院南海海洋研究所 2022-08-19 CN disclosed
CN-113462609-A Mycobacterium for efficiently degrading polycyclic aromatic hydrocarbon and application thereof 中国科学院南海海洋研究所 2021-10-01 CN disclosed