SCHEMBL9262000

SCHEMBL9262000

CCCOCCCOCCCCc1ccc(OC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.51
THRA P10827 1/20 0.49
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
SPHK1 Q9NYA1 1/20 0.43
PTGS2 P35354 1/20 0.42
FFAR1 O14842 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9259786 0.93 L3MBTL1 (0.47) THRBTHRAKMT2AL3MBTL1LMNA
SCHEMBL9259443 0.93 THRB (0.60) THRBTHRAKMT2AL3MBTL1LMNA
SCHEMBL9254264 0.90 THRB (0.56) THRBTHRAKMT2AL3MBTL1LMNA
SCHEMBL1810213 0.84 THRB (0.69) THRBTHRALMNAALDH1A1CYP3A4
SCHEMBL9261995 0.83 THRB (0.44) THRBTHRAKMT2AL3MBTL1LMNA
SCHEMBL8072596 0.83 THRB (0.68) THRBTHRAKMT2ALMNASMN1; SMN2
SCHEMBL7930197 0.83 THRB (0.68) THRBTHRAKMT2ALMNASMN1; SMN2
SCHEMBL3043815 0.83 THRB (0.68) THRBTHRAKMT2ALMNASMN1; SMN2
SCHEMBL8080349 0.83 THRB (0.68) THRBTHRAKMT2ALMNASMN1; SMN2
SCHEMBL8086401 0.83 THRB (0.68) THRBTHRAKMT2ALMNASMN1; 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 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