SCHEMBL9023743

SCHEMBL9023743

COC(=O)COc1[c]cc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
PTGS2 P35354 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.40
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.38
HMGCR P04035 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL7433745 0.76 LMNA (0.59) LMNAPTGS2MAPTKDM4EPTGDR
SCHEMBL9024624 0.74 PTGS2 (0.50) LMNAPTGS2MAPTKDM4EPTGDR
SCHEMBL9024081 0.73 LMNA (0.41) LMNAPTGS2MAPTKDM4EKMT2A
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.72 MAPT (0.70) LMNAMAPTPTGDRPTGDR2KMT2A
SCHEMBL1096835 0.71 LMNA (0.60) LMNAMAPTKDM4EPTGDRPTGDR2
SCHEMBL6592805 0.71 LMNA (0.60) LMNAMAPTKDM4EPTGDRPTGDR2
SCHEMBL221909 0.70 ALDH1A1 (0.32) MAPTALDH1A1GAA
SCHEMBL2117921 0.70 LMNA (0.59) LMNAMAPTPTGDRPTGDR2KMT2A
2,4,5-Trichlorophenoxyacetic Acid, Methyl Ester SCHEMBL29561046 0.69 LMNA (1.00) LMNAMAPTKDM4EPTGDRPTGDR2
SCHEMBL13116437 0.68 LMNA (0.57) LMNAPTGS2MAPTKDM4EKMT2A

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
EP-0398179-B1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO (JP) 1996-01-17 EP disclosed
US-5116855-A Aldose reductase inhibitors; antidiabetic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-05-26 US disclosed
EP-0398179-A1 Rhodanine derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-11-22 EP disclosed