SCHEMBL9261995

SCHEMBL9261995

CCCO[C@@H](C)COCCCCc1ccc(OC(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
THRA P10827 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
GLS O94925 2/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
ACACB O00763 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36

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
SCHEMBL9259782 0.91 THRB (0.40) THRBTHRAL3MBTL1KMT2ALMNA
SCHEMBL9259441 0.85 THRB (0.45) THRBTHRAL3MBTL1KMT2AGLS
SCHEMBL9259438 0.84 THRB (0.47) THRBTHRAL3MBTL1KMT2AGLS
SCHEMBL9262000 0.83 THRB (0.51) THRBTHRAL3MBTL1KMT2ALMNA
SCHEMBL9252739 0.82 RARB (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8148796 0.82 ACACB (0.46) THRBTHRAL3MBTL1LMNAALDH1A1
SCHEMBL9260716 0.82 ESR1 (0.50) L3MBTL1KMT2ALMNAMEN1USP2
SCHEMBL9259443 0.82 THRB (0.60) THRBTHRAL3MBTL1KMT2ALMNA
SCHEMBL9261990 0.81 THRB (0.47) THRBTHRAL3MBTL1KMT2ALMNA
SCHEMBL9254260 0.81 KMT2A (0.44) THRBTHRAL3MBTL1KMT2ALMNA

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 4 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