SCHEMBL9259443

SCHEMBL9259443

CCCCCOCCCCc1ccc(OC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.60
THRA P10827 2/20 0.57
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
FAAH O00519 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL9254264 0.97 THRB (0.56) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL9262000 0.93 THRB (0.51) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL1810213 0.92 THRB (0.69) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL3043815 0.91 THRB (0.68) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL8086401 0.91 THRB (0.68) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL8080349 0.91 THRB (0.68) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL8072596 0.91 THRB (0.68) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL1248565 0.91 THRB (0.68) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL7930197 0.91 THRB (0.68) THRBTHRAALDH1A1KMT2AMEN1
SCHEMBL1867931 0.89 THRB (0.66) THRBTHRAALDH1A1KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0357372-B1 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL CO (JP) 1994-11-17 EP disclosed
US-5264151-A Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
EP-0357372-A2 Optically active ester derivatives, preparation process thereof, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed