SCHEMBL3697808

SCHEMBL3697808

COC(=O)C1Cc2c(O)cccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
UCHL1 P09936 1/20 0.42
HSD11B1 P28845 2/20 0.41
HDAC8 Q9BY41 5/20 0.40
CYP19A1 P11511 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
SCHEMBL21881601 1.00 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HSD11B1
SCHEMBL1202987 0.91 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HSD11B1
SCHEMBL20483181 0.87 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HDAC8
SCHEMBL30069424 0.87 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HDAC8
SCHEMBL16271289 0.87 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HDAC8
SCHEMBL30069422 0.87 PTPN1 (0.53) PTPN1NR1H2NR1H3UCHL1HDAC8
SCHEMBL21490343 0.84 PTPN1 (0.65) PTPN1NR1H2NR1H3HDAC8
SCHEMBL2737917 0.84 PTPN1 (0.65) PTPN1NR1H2NR1H3HDAC8
SCHEMBL29443079 0.84 PTPN1 (0.65) PTPN1NR1H2NR1H3HDAC8
SCHEMBL20482760 0.83 PTPN1 (0.49) PTPN1NR1H2NR1H3UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200609-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-06-30 EP disclosed
WO-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed