SCHEMBL14515212

SCHEMBL14515212

O=c1ccc2ccc(O[C@@H]3C[C@@H](O)[C@@H](O)C3)cc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
CA12 O43570 10/20 0.54
CA9 Q16790 10/20 0.54
CA1 P00915 8/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
CA6 P23280 4/20 0.54
CA7 P43166 4/20 0.54
CA14 Q9ULX7 4/20 0.54
CA4 P22748 4/20 0.54
CA5A P35218 3/20 0.54
CA3 P07451 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
AKR1B1 P15121 1/20 0.54
GLA P06280 3/20 0.52
GAA P10253 3/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 2/20 0.51

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
SCHEMBL14515223 1.00 MAOA (0.54) MAOACA12CA9CA1KDM4E
SCHEMBL14515224 1.00 MAOA (0.54) MAOACA12CA9CA1KDM4E
SCHEMBL14515315 0.85 MAOA (0.54) MAOACA12CA9CA1KDM4E
SCHEMBL14515312 0.85 MAOA (0.54) MAOACA12CA9CA1KDM4E
SCHEMBL14539461 0.85 MAOA (0.54) MAOACA12CA9CA1KDM4E
SCHEMBL12337641 0.84 MAOA (0.56) MAOACA12CA9CA1KDM4E
SCHEMBL13614586 0.84 MAOA (0.56) MAOACA12CA9CA1KDM4E
SCHEMBL14515342 0.83 MAOA (0.52) MAOACA12CA9CA1KDM4E
SCHEMBL14515347 0.83 MAOA (0.52) MAOACA12CA9CA1KDM4E
SCHEMBL1091475 0.82 MAOA (0.52) MAOACA12CA9CA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 US disclosed
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 US disclosed
EP-1285086-B1 METHOD FOR LIBERATING A PRODUCT COMPRISING A CHEMICAL OXYDATION, DETECTION OF THE PRODUCT AND FURTHER APPLICATIONS PROTEUS (FR) 2013-07-03 EP disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 US disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 US disclosed