SCHEMBL7160607

SCHEMBL7160607

COc1ccc(C(=O)C=CO)c(OCc2ccccc2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FOLH1 Q04609 1/20 0.46
XDH P47989 1/20 0.46
TNFRSF1A P19438 1/20 0.46

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
SCHEMBL7160603 1.00 MAPT (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7160735 0.90 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7160739 0.90 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7164051 0.87 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7164052 0.87 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL27801031 0.83 MRGPRX4 (0.56) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL10555859 0.83 MRGPRX4 (0.56) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL8702231 0.80 HTT (0.51) MAPTNPC1RAB9ATP53HTT
SCHEMBL7157335 0.77 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL7157331 0.77 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A

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
US-6545031-B1 Carboxyalkenylpyrazolylbenzene derivatives, such as (E)-alpha-((5-(2-((2-carboxyphenyl)methoxy)-4-methoxyphenyl) -1-ethyl-1H-pyrazol-4-yl)methylene)-6-methoxy-1,3-benzodioxole -5-propanoic acid SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
EP-0843551-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-02-06 EP disclosed
EP-0843551-A4 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-08-12 EP disclosed
EP-0843551-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-27 EP disclosed
WO-1997004773-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed