SCHEMBL5943485

SCHEMBL5943485

c1ccc2c(OB(Oc3n[nH]c4ccccc34)Oc3n[nH]c4ccccc34)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.53
KDM4E B2RXH2 5/20 0.50
GAA P10253 2/20 0.50
PDPK1 O15530 1/20 0.50
CYP3A4 P08684 1/20 0.50
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
IDO1 P14902 3/20 0.47
ALDH1A1 P00352 2/20 0.47
ALPL P05186 1/20 0.47
HPGD P15428 1/20 0.47
TTK P33981 1/20 0.47
MAPK10 P53779 1/20 0.47
CYP1A2 P05177 1/20 0.43
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
LRRK2 Q5S007 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28880065 0.98 RARG (0.51) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL460612 0.81 RARG (0.68) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL31134461 0.78 CNR1 (0.59) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL1966860 0.78 CNR1 (0.59) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL4193104 0.76 RARG (0.53) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL4057113 0.74 RARG (0.60) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL8430557 0.73 CNR1 (0.59) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL21965345 0.73 RARG (0.50) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL4193108 0.73 RARG (0.50) RARGKDM4EGAAPDPK1CYP3A4
SCHEMBL31073819 0.73 CNR2 (0.58) RARGKDM4EGAAPDPK1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247124-A1 Polymerisation reaction and catalyst therefor JOHNSON MATTHEY PLC (GB) 2006-11-02 US disclosed
EP-1569996-A1 POLYMERISATION REACTION AND CATALYST THEREFOR JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2005-09-07 EP disclosed
WO-2004052980-A1 POLYMERISATION REACTION AND CATALYST THEREFOR JOHNSON MATTHEY PLC (GB) 2004-06-24 WO disclosed