SCHEMBL6049017

SCHEMBL6049017

C=C(CC(CC(=C)C(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
DGAT1 O75907 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C19 P33261 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTT P42858 1/20 0.30
THRB P10828 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL28633196 0.94 ALDH1A1 (0.34) ALDH1A1TSHRDGAT1GLO1LMNA
SCHEMBL26597356 0.87 MEN1 (0.37) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2770601 0.85 MEN1 (0.43) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL7911956 0.85 DGAT1 (0.38) DGAT1
SCHEMBL6049010 0.84 TSHR (0.42) ALDH1A1TSHRDGAT1MAPTNPSR1
SCHEMBL11996079 0.82 ALDH1A1 (0.40) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL7066945 0.79 MEN1 (0.41) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL12130916 0.77 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL23736641 0.77 THRB (0.42) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL23718668 0.77 TSHR (0.41) ALDH1A1TSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3730661-B2 2006-01-05 JP claimed
EP-0711270-B1 Polymers comprising 4-substituted cyclohexane units COMMW SCIENT IND RES ORG (AU) 2001-12-19 EP claimed
US-5830966-A Cyclopolymerization monomers and polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-03 US claimed
EP-0711270-A4 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMW SCIENT IND RES ORG (AU) 1997-02-26 EP claimed
EP-0711270-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-05-15 EP claimed
WO-1995004026-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-02-09 WO claimed
EP-0711270-B1 Polymers comprising 4-substituted cyclohexane units COMMW SCIENT IND RES ORG (AU) 2001-12-19 EP disclosed
US-5830966-A Cyclopolymerization monomers and polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-03 US disclosed
EP-0711270-A4 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMW SCIENT IND RES ORG (AU) 1997-02-26 EP disclosed
EP-0711270-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-05-15 EP disclosed
WO-1995004026-A1 CYCLOPOLYMERISATION MONOMERS AND POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-02-09 WO disclosed