SCHEMBL8860175

SCHEMBL8860175

COc1cc(O)c2c(O)c3c(=O)cc(C)oc3cc2c1-c1c(OC)cc(OC)c2c(O)c3c(=O)cc(C)oc3cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.61
PTGS1 P23219 7/20 0.60
PTGS2 P35354 7/20 0.60
HIF1A Q16665 2/20 0.53
EPAS1 Q99814 2/20 0.53
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APP P05067 2/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL8860537 0.96 PTGS1 (0.64) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL8860230 0.95 XDH (0.67) XDHPTGS1PTGS2HIF1AEPAS1
Quinquangulin SCHEMBL4742445 0.86 PTGS1 (0.64) XDHPTGS1PTGS2HIF1AEPAS1
Ustilaginoidin A SCHEMBL3119631 0.82 PTGS1 (0.62) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL8860458 0.80 PTGS1 (0.48) XDHPTGS1PTGS2HIF1AEPAS1
Rubrofusarin B SCHEMBL29779134 0.76 XDH (1.00) XDHPTGS1PTGS2HIF1AEPAS1
Rubrofusarin B SCHEMBL16227248 0.76 XDH (1.00) XDHPTGS1PTGS2HIF1AEPAS1
Aurasperone A SCHEMBL29779131 0.75 XDH (0.80) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL29403680 0.74 PTGS1 (0.80) XDHPTGS1PTGS2HIF1AEPAS1
SCHEMBL15060666 0.74 XDH (0.79) XDHPTGS1PTGS2HIF1AEPAS1

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
US-5614642-A Methods of inhibiting phosphatase activity and treatment of disorders associated therewith using naphthopyrones and derivatives thereof SUGEN INC. (US) 1997-03-25 US disclosed
US-5602171-A Methods of inhibiting phosphatase activity and treatment of disorders associated therewith using naphthopyrones and derivatives thereof SUGEN INC. (US) 1997-02-11 US disclosed