SCHEMBL11240569

SCHEMBL11240569

C=CC(=O)Oc1ccccc1Cc1ccccc1OC(=O)C=C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.63
THRA P10827 1/20 0.63
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TYMS P04818 1/20 0.39
LIG1 P18858 1/20 0.38
HRH1 P35367 3/20 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
SCHEMBL7218338 0.92 THRB (0.56) THRBTHRAKDM4EMAPTHPGD
SCHEMBL4342753 0.90 THRA (0.57) THRBTHRAHPGDHRH1
SCHEMBL146450 0.87 THRB (0.70) THRBTHRAKDM4EMAPTHPGD
SCHEMBL6219545 0.87 THRB (0.61) THRBTHRAKDM4EMAPTHPGD
SCHEMBL7104109 0.87 THRB (0.51) THRBTHRAKDM4EMAPTHPGD
SCHEMBL10883970 0.87 THRB (0.54) THRBTHRATYMSHRH1
SCHEMBL2855272 0.86 THRB (0.60) THRBTHRAKDM4EMAPTHPGD
SCHEMBL28620207 0.86 THRB (0.60) THRBTHRAKDM4EMAPTHPGD
SCHEMBL311912 0.86 THRA (0.60) THRBTHRAKDM4E
SCHEMBL27093552 0.86 THRB (0.60) THRBTHRAKDM4EMAPTHPGD

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
US-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed