SCHEMBL2730154

SCHEMBL2730154

COc1cccc(Cc2cccc(C=O)c2O)c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.73
TLR2 O60603 1/20 0.73
TLR1 Q15399 1/20 0.73
TLR6 Q9Y2C9 1/20 0.73
CALM1 P0DP23 1/20 0.54
IDO1 P14902 1/20 0.50
CA12 O43570 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
SRC P12931 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 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
SCHEMBL929734 0.85 ERN1 (1.00) ERN1TLR2TLR1TLR6CA12
SCHEMBL30485148 0.85 ERN1 (1.00) ERN1TLR2TLR1TLR6CA12
SCHEMBL16004 0.85 ERN1 (1.00) ERN1TLR2TLR1TLR6CA12
SCHEMBL8444934 0.85 ERN1 (0.59) ERN1TLR2TLR1TLR6CA1
SCHEMBL4450612 0.83 ERN1 (0.96) ERN1TLR2TLR1TLR6CA12
SCHEMBL11407272 0.83 ERN1 (0.96) ERN1TLR2TLR1TLR6CA12
Ethylene SCHEMBL28629154 0.82 ERN1 (0.93) ERN1TLR2TLR1TLR6CA12
Methylamine SCHEMBL28936774 0.82 ERN1 (0.93) ERN1TLR2TLR1TLR6CA12
Ethylenediamine SCHEMBL9276378 0.81 ERN1 (0.83) ERN1TLR2TLR1TLR6CA12
Ethylenediamine SCHEMBL28296472 0.81 ERN1 (0.83) ERN1TLR2TLR1TLR6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43067-E1 Method for producing new polynuclear poly(formylphenol) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-03 US disclosed