SCHEMBL7050819

SCHEMBL7050819

CCOC(=O)[C@@H]1O[C@H]1C(C)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
MAPT P10636 5/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
HTR2A P28223 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7050818 1.00 BCL9 (0.46) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL6978503 0.85 BCL9 (0.52) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL7050815 0.76 BCL9 (0.57) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL8746385 0.74 TSHR (0.67) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL27083890 0.74 TSHR (0.67) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL14275292 0.74 GAA (0.54) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL14275297 0.74 GAA (0.54) BCL9CTNNB1MAPTKMT2AALDH1A1
SCHEMBL27818621 0.73 MGLL (0.52) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL10024490 0.73 BCL9 (0.59) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL18966687 0.73 MAPT (0.48) BCL9CTNNB1MAPTCRHBPCRHR2

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
EP-1029869-B1 Endothelin converting enzyme inhibitors WELLCOME FOUND (GB) 2003-04-23 EP disclosed
US-6235717-B1 Pharmaceutical compounds GLAXO WELLCOME INC. 2001-05-22 US disclosed
EP-1029869-A1 Endothelin converting enzyme inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 2000-08-23 EP disclosed
EP-0677059-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-10-18 EP disclosed
WO-1994015956-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-21 WO disclosed