SCHEMBL7157384

SCHEMBL7157384

COC(=O)c1ccccc1COc1cc(OC)ccc1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
RAB9A P51151 4/20 0.49
GAA P10253 2/20 0.49
PKM P14618 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP15 Q460N3 2/20 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
SCHEMBL6965435 0.86 LMNA (0.55) MAPTL3MBTL1POLBALDH1A1KMT2A
SCHEMBL7160739 0.84 MAPT (0.49) MAPTL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL7160735 0.84 MAPT (0.49) MAPTL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL7157335 0.81 MAPT (0.46) MAPTL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL7157331 0.81 MAPT (0.46) MAPTL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL6450099 0.80 MAOB (0.65) MAPTL3MBTL1POLBALDH1A1HPGD
SCHEMBL11557673 0.79 KDM4E (0.60) MAPTPOLBHPGDRAB9AGAA
SCHEMBL6965429 0.79 MAOB (0.65) MAPTL3MBTL1ALDH1A1RAB9AHTT
SCHEMBL6158837 0.77 ALDH1A1 (0.54) MAPTALDH1A1HPGDRAB9AGAA
SCHEMBL10555859 0.76 MRGPRX4 (0.56) POLBALDH1A1HPGDRAB9AGAA

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