SCHEMBL7050815

SCHEMBL7050815

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
MAPT P10636 8/20 0.46
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MGLL Q99685 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
MEN1 O00255 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
SCHEMBL6978503 0.82 BCL9 (0.52) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL7050818 0.76 BCL9 (0.46) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL7050819 0.76 BCL9 (0.46) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL133257 0.74 BCL9 (1.00) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL957930 0.74 BCL9 (0.81) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL26111924 0.73 BCL9 (0.97) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL8746385 0.73 TSHR (0.67) MAPTKMT2ASMN1; SMN2LMNAGAA
SCHEMBL27083890 0.73 TSHR (0.67) MAPTKMT2ASMN1; SMN2LMNAGAA
SCHEMBL828974 0.72 BCL9 (0.82) BCL9CTNNB1MAPTKMT2ASMN1; SMN2
SCHEMBL15726675 0.72 BCL9 (0.68) BCL9CTNNB1MAPTKMT2ASMN1; SMN2

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