SCHEMBL7488184

SCHEMBL7488184

CCOC(=O)C1COc2ccc(CC(C)=O)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7483813 0.95 CYP4F2 (0.51) CYP4F2CYP4A11KMT2ACYP3A4ALDH1A1
SCHEMBL7490164 0.95 CYP4F2 (0.51) CYP4F2CYP4A11KMT2ACYP3A4ALDH1A1
SCHEMBL7483826 0.95 CYP4F2 (0.51) CYP4F2CYP4A11KMT2ACYP3A4ALDH1A1
SCHEMBL9255724 0.83 CYP4F2 (0.54) CYP4F2CYP4A11KMT2ACYP3A4ALDH1A1
SCHEMBL1519271 0.83 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1L3MBTL1GAA
SCHEMBL7484765 0.82 HPGD (0.49) KMT2ACYP3A4ALDH1A1L3MBTL1GAA
SCHEMBL7489974 0.82 HPGD (0.49) KMT2ACYP3A4ALDH1A1L3MBTL1GAA
SCHEMBL7203233 0.82 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1L3MBTL1GAA
SCHEMBL7484752 0.82 HPGD (0.49) KMT2ACYP3A4ALDH1A1L3MBTL1GAA
SCHEMBL7204613 0.81 CYP4F2 (0.46) CYP4F2CYP4A11KMT2ACYP3A4ALDH1A1

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-0825189-B1 1,4-BENZODIOXIN DERIVATIVES NISSHIN PHARMA INC (JP) 2002-01-02 EP disclosed
US-6130243-A PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA AND OBESITY IN MAMMALS NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-10-10 US disclosed
EP-0825189-A1 1,4-BENZODIOXIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-02-25 EP disclosed