SCHEMBL17036772

SCHEMBL17036772

C=C(C)C(=O)OCCOc1cccc(COC(=O)C(=C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
FFAR1 O14842 2/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 6/20 0.43
MAOA P21397 1/20 0.42
THRB P10828 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL17036775 0.96 THRB (0.44) TDP1POLBAPEX1HTTFFAR1
SCHEMBL17036976 0.93 TDP1 (0.51) TDP1POLBAPEX1HTTFFAR1
SCHEMBL65346 0.88 TDP1 (0.52) TDP1POLBAPEX1HTTMAPK1
SCHEMBL28857335 0.88 PPARG (0.47) TDP1POLBAPEX1HTTMAPK1
SCHEMBL10892441 0.87 SMN1; SMN2 (0.48) TDP1FFAR1MAPK1L3MBTL1TSHR
SCHEMBL18106792 0.87 POLB (0.53) TDP1POLBAPEX1HTTFFAR1
SCHEMBL17033926 0.84 THRB (0.51) TDP1POLBAPEX1HTTMAPK1
SCHEMBL17037023 0.84 THRB (0.51) TDP1POLBAPEX1HTTMAPK1
SCHEMBL17033927 0.84 TDP1 (0.56) TDP1POLBAPEX1HTTMAPK1
SCHEMBL30486011 0.84 MMP1 (0.54) HTTMAOBMAOAMRGPRX4MMP1

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
WO-2015126862-A1 DENTAL COMPOSITION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-08-27 WO disclosed