SCHEMBL3433731

SCHEMBL3433731

COC(=O)C1Cc2c(ccc([N+](=O)[O-])c2O)CN1C(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.43
CYP19A1 P11511 5/20 0.38
PTPN1 P18031 1/20 0.37
ELANE P08246 1/20 0.37
MAPT P10636 1/20 0.34

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
SCHEMBL16739181 0.87 PTPN1 (0.51) AGTR2PTPN1
SCHEMBL1151768 0.80 PTPN1 (0.40) AGTR2CYP19A1PTPN1ELANEMAPT
SCHEMBL23315195 0.70 PTPN1 (0.55) PTPN1
SCHEMBL1151342 0.69 ACE (0.38) AGTR2MAPT
SCHEMBL21881597 0.69 PTPN1 (0.54) PTPN1
SCHEMBL1152110 0.69 PTPN1 (0.42) AGTR2CYP19A1PTPN1ELANE
SCHEMBL539738 0.67 PTPN1 (0.54) PTPN1
SCHEMBL12849136 0.67 PTPN1 (0.54) PTPN1
SCHEMBL540106 0.66 PTPN1 (0.51) AGTR2PTPN1MAPT
SCHEMBL6392086 0.65 PTPN1 (0.63) AGTR2PTPN1MAPT

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-2262364-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TransTech Pharma, Inc (US) 2010-12-22 EP disclosed
WO-2009111700-A2 OXADIAZOANTHRACENE COMPOUNDS FOR THE TREATMENT OF DIABETES TRANSTECH PHARMA, INC. (US) 2009-09-11 WO disclosed