SCHEMBL12416579

SCHEMBL12416579

C=C(C)C(=O)OCCOc1c(-c2ccccc2)cccc1-c1cccc(-c2ccccc2)c1OCCOC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL1938344 0.91 KDM4E (0.44) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL12446630 0.89 L3MBTL1 (0.44) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL29550232 0.84 KDM4E (0.55) TDP1HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL7524394 0.84 KDM4E (0.55) TDP1HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL2787881 0.83 KDM4E (0.44) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL25123525 0.81 ALDH1A1 (0.60) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL25796435 0.81 ALDH1A1 (0.60) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL1938347 0.80 KDM4E (0.43) TDP1HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL27459251 0.80 KMT2A (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL8515051 0.80 POLB (0.46) TDP1POLBAPEX1HTTL3MBTL1

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-20110171609-A1 Dental Composition Comprising Biphenyl Di(meth)acrylate Monomer 3M INNOVATIVE PROPERTIES COMPANY 2011-07-14 — — US disclosed
US-20110171609-A1 Dental Composition Comprising Biphenyl Di(meth)acrylate Monomer 3M INNOVATIVE PROPERTIES COMPANY 2011-07-14 — — US disclosed
WO-2010027676-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-11 — — WO disclosed
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