SCHEMBL7425467

SCHEMBL7425467

CCOC(=O)C(CCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.92

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.92
CRHBP P24387 1/20 0.92
CRHR2 Q13324 1/20 0.92
L3MBTL1 Q9Y468 4/20 0.90
KMT2A Q03164 4/20 0.70
MEN1 O00255 2/20 0.70
TDP1 Q9NUW8 5/20 0.66
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
HRH2 P25021 1/20 0.54
HRH1 P35367 1/20 0.54
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL7431984 0.95 MAPT (0.83) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL7640823 0.90 MAPT (0.88) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL17888557 0.88 MAPT (0.77) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL11016123 0.86 MAPT (0.68) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL222442 0.83 MEN1 (0.82) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL3008936 0.83 MAPT (0.79) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL17986109 0.82 MAPT (0.68) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL6335807 0.81 MAPT (0.66) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL11294805 0.80 MAPT (0.62) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL7426974 0.80 TDP1 (1.00) MAPTCRHBPCRHR2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed