SCHEMBL28080388

SCHEMBL28080388

COC(=O)c1cc(C)cnc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
OPRK1 P41145 4/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP46A1 Q9Y6A2 1/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.39
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
AXL P30530 1/20 0.38
DHODH Q02127 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL2487068 0.89 ATM (0.49) ATMOPRK1KDM4EALDH1A1CYP46A1
SCHEMBL29833413 0.89 ATM (0.49) ATMOPRK1KDM4EALDH1A1CYP46A1
SCHEMBL2487071 0.86 ATM (0.46) ATMOPRK1KDM4EALDH1A1CYP46A1
SCHEMBL29619749 0.86 ATM (0.46) ATMOPRK1KDM4EALDH1A1CYP46A1
SCHEMBL1819716 0.83 GABRP (0.44) KDM4EALDH1A1L3MBTL1HCAR2TSHR
SCHEMBL30968742 0.83 GABRP (0.44) KDM4EALDH1A1L3MBTL1HCAR2TSHR
SCHEMBL28080391 0.83 KDM4E (0.49) ATMKDM4EALDH1A1MAPK1GLA
SCHEMBL28276724 0.82 GABRP (0.43) KDM4EALDH1A1L3MBTL1HCAR2TSHR
SCHEMBL27976863 0.81 KDM4E (0.44) KDM4EALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL12024798 0.80 ATM (0.50) ATMOPRK1KDM4EALDH1A1CYP46A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756780-A Efficient and clean treatment method for synthesizing imazamox 江苏扬农化工股份有限公司 2024-03-26 CN disclosed
CN-114790150-A Preparation method of 2, 3-pyridine dicarboxylate derivative intermediate and 2, 3-pyridine dicarboxylate derivative 江苏中旗科技股份有限公司 2022-07-26 CN disclosed
CN-105777623-A Method for preparing pyridine side chain methyl quaternary ammonium compound 北京颖泰嘉和生物科技股份有限公司 2016-07-20 CN disclosed