SCHEMBL15535316

SCHEMBL15535316

COc1c(O)ccc(C=O)c1C(C)I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 1/20 0.51
ERN1 O75460 9/20 0.44
TYR P14679 2/20 0.44
TRIM24 O15164 2/20 0.44
TRIM33 Q9UPN9 2/20 0.44
ALDH1A1 P00352 3/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MCL1 Q07820 1/20 0.36
LCK P06239 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL6835989 0.87 CA1 (0.54) CA1CA2ERN1TYRTRIM24
SCHEMBL29459741 0.77 CA1 (0.69) CA1CA2ERN1TYRTRIM24
SCHEMBL1003414 0.77 CA1 (0.69) CA1CA2ERN1TYRTRIM24
SCHEMBL5030427 0.76 CA1 (0.58) CA1CA2ERN1TYRTRIM24
SCHEMBL28143386 0.76 CA1 (0.47) CA1CA2ERN1TYRTRIM24
SCHEMBL29459651 0.75 CA1 (0.61) CA1CA2ERN1TYRTRIM24
SCHEMBL1005010 0.75 CA1 (0.61) CA1CA2ERN1TYRTRIM24
SCHEMBL7939012 0.74 CA1 (0.59) CA1CA2ERN1TYRTRIM24
SCHEMBL1361643 0.74 CA1 (0.59) CA1CA2ERN1TYRTRIM24
SCHEMBL31269431 0.73 CA1 (0.58) CA1CA2ERN1TYRTRIM24

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
EP-2871962-B1 WOOD PROTECTION AGAINST MICROORGANISMS BY LACCASE-CATALYSED IODINATION EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2018-02-07 EP disclosed
EP-2871962-A1 WOOD PROTECTION AGAINST MICROORGANISMS BY LACCASE-CATALYSED IODINATION EMPA Eidgenössische Materialprüfungs- und Forschungsanstalt (CH) 2015-05-20 EP disclosed
WO-2013173935-A1 WOOD PROTECTION AGAINST MICROORGANISMS BY LACCASE-CATALYSED IODINATION EMPA EIDGENÖSSISCHE MATERIALPRÜFUNGS- UND FORSCHUNGSANSTALT (CH) 2013-11-28 WO disclosed