SCHEMBL6049010

SCHEMBL6049010

C=C(CC(CC(=C)C(=O)OCCCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1H2 P55055 1/20 0.30
RNASEL Q05823 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
SCHEMBL28628788 0.87 TSHR (0.44) TSHRALDH1A1HCAR2NPSR1NAAA
SCHEMBL6049017 0.84 ALDH1A1 (0.38) TSHRALDH1A1NPSR1MAPTLMNA
SCHEMBL28628790 0.83 TSHR (0.41) TSHRNPSR1NAAARAD52LMNA
SCHEMBL7911956 0.80 DGAT1 (0.38) DGAT1
SCHEMBL1225944 0.80 TSHR (0.46) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL28633196 0.79 ALDH1A1 (0.34) TSHRALDH1A1LMNACYP2D6CYP2C19
SCHEMBL29191248 0.77 TSHR (0.44) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL15979339 0.76 TSHR (0.46) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL9546001 0.76 TSHR (0.49) TSHRALDH1A1HPGDATMHCAR2
SCHEMBL29898676 0.75 TSHR (0.57) TSHRALDH1A1HCAR2NPSR1NAAA

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