SCHEMBL9254264

SCHEMBL9254264

CCCCCOCCCc1ccc(OC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.56
THRA P10827 1/20 0.54
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL9259443 0.97 THRB (0.60) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL9262000 0.90 THRB (0.51) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL1810213 0.89 THRB (0.69) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL3043815 0.87 THRB (0.68) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL8086401 0.87 THRB (0.68) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL7930197 0.87 THRB (0.68) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL1248565 0.87 THRB (0.68) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL8072596 0.87 THRB (0.68) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL8080349 0.87 THRB (0.68) THRBTHRAKMT2AALDH1A1MEN1
SCHEMBL1415501 0.87 THRB (0.61) THRBTHRAALDH1A1LMNASMN1; SMN2

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