SCHEMBL3421185

SCHEMBL3421185

COc1c(C=O)cccc1C=O.O=Cc1cccc(C=O)c1O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
ERN1 O75460 13/20 0.67
TLR2 O60603 1/20 0.67
TLR1 Q15399 1/20 0.67
TLR6 Q9Y2C9 1/20 0.67
SRC P12931 1/20 0.51
TRIM24 O15164 2/20 0.43
TRIM33 Q9UPN9 2/20 0.43
TYR P14679 1/20 0.43
MCL1 Q07820 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL2787203 0.89 CA1 (0.73) CA1CA2ERN1TLR2TLR1
SCHEMBL470709 0.84 CA1 (1.00) CA1CA2ERN1TLR2TLR1
SCHEMBL419950 0.82 ERN1 (0.76) CA1CA2ERN1TLR2TLR1
SCHEMBL30485148 0.80 ERN1 (1.00) CA1CA2ERN1TLR2TLR1
SCHEMBL8598035 0.80 CA1 (0.61) CA1CA2ERN1TLR2TLR1
SCHEMBL16004 0.80 ERN1 (1.00) CA1CA2ERN1TLR2TLR1
SCHEMBL929734 0.80 ERN1 (1.00) CA1CA2ERN1TLR2TLR1
SCHEMBL22840376 0.79 CA1 (0.56) CA1CA2ERN1TLR2TLR1
SCHEMBL188094 0.78 CA1 (0.65) CA1CA2ERN1TLR2TLR1
SCHEMBL4450612 0.78 ERN1 (0.96) CA1CA2ERN1TLR2TLR1

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
EP-2152778-A1 HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION Dow Global Technologies Inc. (US) 2010-02-17 EP disclosed
WO-2008134118-A1 HIGHLY ACTIVE CATALYSTS FOR ALKYLENE OXIDE POLYMERIZATION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-06 WO disclosed