SCHEMBL9450840

SCHEMBL9450840

C=CC(=O)OC(CCCCC)Oc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM3 P20309 8/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SOAT1 P35610 2/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL23581944 0.92 KDM4E (0.39) THRBTHRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL23581926 0.87 HTT (0.43) THRBTHRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8387100 0.86 ALDH1A1 (0.42) THRBKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL29137109 0.85 THRB (0.42) THRBTHRAALDH1A1
SCHEMBL10441457 0.84 THRA (0.37) THRBTHRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL8040122 0.83 THRB (0.45) THRBTHRAALDH1A1
SCHEMBL32678535 0.82 THRB (0.46) THRBTHRAALDH1A1
SCHEMBL32678536 0.82 THRB (0.46) THRBTHRAALDH1A1
SCHEMBL32678537 0.82 THRB (0.46) THRBTHRAALDH1A1
SCHEMBL10441454 0.80 L3MBTL1 (0.39) THRBTHRAALDH1A1SMN1; SMN2GAA

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
EP-0536200-A1 FLUORINE-CONTAINING ACRYLATE AND METHACRYLATE SIDE-CHAIN LIQUID CRYSTAL MONOMERS AND POLYMERS. MINNESOTA MINING & MFG (US) 1993-04-14 EP disclosed