SCHEMBL6049022

SCHEMBL6049022

C=C(CC(CC(=C)c1ccccc1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 2/20 0.40
HIF1A Q16665 1/20 0.40
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
ATM Q13315 1/20 0.38
ELANE P08246 4/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
SLC7A5 Q01650 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL23738123 0.83 POLB (0.45) ALDH1A1TSHRCYP2C19MAPTCYP1A2
SCHEMBL23718650 0.81 POLB (0.43) TDP1ALDH1A1TSHRCYP2C19MAPT
SCHEMBL26597370 0.76 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19PRSS1CTSG
SCHEMBL5884520 0.75 SRC (0.49) TDP1ALDH1A1TSHRHSD17B10PRSS1
SCHEMBL2991174 0.75 TDP1 (0.44) TDP1ALDH1A1TSHRHSD17B10PRSS1
SCHEMBL3382150 0.74 PPARA (0.43) TDP1ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL6049020 0.74 ALDH1A1 (0.51) ALDH1A1TSHRATMMAPT
SCHEMBL6049021 0.74 ALDH1A1 (0.44) TDP1ALDH1A1
SCHEMBL5885245 0.73 ALDH1A1 (0.50) TDP1ALDH1A1TSHRPRSS1CTSG
SCHEMBL7065146 0.73 MMP8 (0.51) TDP1ALDH1A1TSHRHIF1AMAPT

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