SCHEMBL5831381

SCHEMBL5831381

COc1cccc2c1C(C)(O)C(C)(O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.41
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 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
SCHEMBL5831674 0.81 DRD2 (0.39) HTR5ALMNAKDM4EALDH1A1TP53
SCHEMBL5831052 0.81 HTR5A (0.38) HTR5ALMNAKDM4EALDH1A1TP53
SCHEMBL5831782 0.76 DRD2 (0.35) HTR5ADRD2DRD3CYP2D6SLC6A2
SCHEMBL5831288 0.74 ALOX5 (0.37) LMNADRD2DRD3
SCHEMBL13626308 0.69 MTNR1A (0.46) LMNAKDM4EMAPTCA1CA2
SCHEMBL14430501 0.68 MAPK1 (0.43) MAPK1DRD2DRD3AADAT
SCHEMBL29823229 0.68 DRD2 (0.49) HTR5AALDH1A1DRD2DRD3CA1
SCHEMBL13999138 0.68 DRD2 (0.49) HTR5AALDH1A1DRD2DRD3CA1
SCHEMBL2378171 0.68 LMNA (0.60) LMNAKDM4EALDH1A1MAPTKMT2A
SCHEMBL18053266 0.67 HTR5A (0.46) HTR5AALDH1A1DRD2DRD3CA1

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
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed