SCHEMBL9259786

SCHEMBL9259786

CCCOCCCOCCc1ccc(OC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 3/20 0.46
LMNA P02545 3/20 0.44
THRA P10827 1/20 0.43
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9262000 0.93 THRB (0.51) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL9259443 0.85 THRB (0.60) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL9254264 0.85 THRB (0.56) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL15899595 0.84 THRB (0.50) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL15899262 0.83 THRB (0.53) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL9260102 0.81 HSD17B10 (0.50) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL1415501 0.80 THRB (0.61) THRBLMNATHRASMN1; SMN2NPC1
SCHEMBL3899589 0.80 THRB (0.66) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL9259782 0.79 THRB (0.40) L3MBTL1KMT2ATHRBLMNATHRA
SCHEMBL1810213 0.79 THRB (0.69) THRBLMNATHRAPTGS2ALDH1A1

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