SCHEMBL8860458

SCHEMBL8860458

Cc1cc(=O)c2c(O)c3c(O)cc(OC(=O)N(C)C)c(-c4c(OC(=O)N(C)C)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.48
PTGS2 P35354 8/20 0.48
XDH P47989 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
HPGD P15428 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 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
SCHEMBL8860537 0.83 PTGS1 (0.64) PTGS1PTGS2XDHKDM4ELMNA
SCHEMBL8860175 0.80 XDH (0.61) PTGS1PTGS2XDHKDM4ELMNA
Ustilaginoidin A SCHEMBL3119631 0.79 PTGS1 (0.62) PTGS1PTGS2XDHKDM4ELMNA
Quinquangulin SCHEMBL4742445 0.76 PTGS1 (0.64) PTGS1PTGS2XDHKDM4ELMNA
SCHEMBL8860230 0.74 XDH (0.67) PTGS1PTGS2XDHKDM4ELMNA
Rubrofusarin SCHEMBL486101 0.67 XDH (0.79) PTGS1PTGS2XDHKDM4ELMNA
SCHEMBL8860220 0.67 PTGS1 (0.46) PTGS1PTGS2XDHKDM4ELMNA
SCHEMBL1673012 0.66 PTGS1 (0.62) PTGS1PTGS2XDHKDM4ELMNA
Eugenitol SCHEMBL29881346 0.66 PTGS1 (0.77) PTGS1PTGS2XDHKDM4ELMNA
SCHEMBL8860206 0.65 XDH (0.46) PTGS1PTGS2XDHKDM4ELMNA

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