SCHEMBL17036775

SCHEMBL17036775

C=C(C)C(=O)OCCOCCOc1cccc(COC(=O)C(=C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
FFAR1 O14842 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
MAOB P27338 5/20 0.40
MAOA P21397 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
SCHEMBL17036772 0.96 TDP1 (0.46) THRBTDP1POLBAPEX1HTT
SCHEMBL17036976 0.90 TDP1 (0.51) KDM4ETDP1POLBAPEX1HTT
SCHEMBL17037023 0.89 THRB (0.51) THRBKDM4ETDP1POLBAPEX1
SCHEMBL17033926 0.89 THRB (0.51) THRBKDM4ETDP1POLBAPEX1
SCHEMBL15385973 0.85 TDP1 (0.52) THRBKDM4ETDP1POLBAPEX1
SCHEMBL17033933 0.85 TDP1 (0.52) THRBKDM4ETDP1POLBAPEX1
SCHEMBL65346 0.85 TDP1 (0.52) THRBKDM4ETDP1POLBAPEX1
SCHEMBL17033938 0.84 TDP1 (0.51) THRBKDM4ETDP1POLBAPEX1
SCHEMBL28857335 0.84 PPARG (0.47) THRBTDP1POLBAPEX1HTT
SCHEMBL9561481 0.84 TSHR (0.48) THRBKDM4ETDP1POLBAPEX1

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