SCHEMBL3993249

SCHEMBL3993249

O=C1OC(=O)c2cc1c1cc2C(=O)OC1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 1/20 0.59
ALDH1A1 P00352 4/20 0.46
TYMS P04818 4/20 0.46
TSHR P16473 2/20 0.33
GSK3B P49841 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
CDC25B P30305 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL21129243 0.85 ALOX15 (0.46) TDP1ALOX15ALDH1A1TYMS
SCHEMBL10001437 0.83 ALOX15 (0.43) TDP1ALOX15ALDH1A1TYMSKDM4E
SCHEMBL28729858 0.83 ALOX15 (0.43) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL29518416 0.83 ALOX15 (0.43) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL10080803 0.83 TDP1 (0.43) TDP1ALOX15ALDH1A1TYMSKDM4E
SCHEMBL27403656 0.83 ALOX15 (0.43) TDP1ALOX15ALDH1A1TYMSTSHR
SCHEMBL855808 0.81 ALOX15 (0.48) TDP1ALOX15ALDH1A1TYMSTSHR
SCHEMBL11383281 0.81 ALOX15 (0.48) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL31409205 0.81 ALOX15 (0.48) TDP1ALOX15ALDH1A1TYMSCA12
SCHEMBL652925 0.81 ALOX15 (0.48) TDP1ALOX15ALDH1A1TYMSHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018095895-A1 CURABLE EPOXIDE/POLYURETHANE HYBRID RESIN SYSTEM FOR SMCS HENKEL AG & CO. KGAA (DE) 2018-05-31 WO disclosed
EP-2697279-A1 HYBRID MATRIX FOR FIBER COMPOSITE MATERIALS Henkel AG & Co. KGaA (DE) 2014-02-19 EP disclosed
WO-2012139975-A1 HYBRID MATRIX FOR FIBER COMPOSITE MATERIALS HENKEL AG & CO. KGAA (DE) 2012-10-18 WO disclosed
EP-2064179-A2 NOVEL COMPOUNDS AND COMPOSITIONS THEREOF Lubrizol Limited (GB) 2009-06-03 EP disclosed
WO-2008028954-A2 NOVEL COMPOUNDS AND COMPOSITIONS THEREOF LUBRIZOL LIMITED (GB) 2008-03-13 WO disclosed