SCHEMBL6049015

SCHEMBL6049015

C=C(CC(CC(=C)C(=O)OC(C)(C)C)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SYK P43405 1/20 0.42
PTPN1 P18031 4/20 0.41
PTPRC P08575 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IDO1 P14902 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7920810 0.90 PTPN1 (0.43) ALDH1A1SYKPTPN1PTPRCKMT2A
SCHEMBL6049021 0.89 ALDH1A1 (0.44) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL7920791 0.87 ALDH1A1 (0.46) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL20360331 0.83 ALDH1A1 (0.51) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL6049025 0.83 ALDH1A1 (0.47) ALDH1A1PTPN1PTPRCKMT2AMAPK1
SCHEMBL1680118 0.81 ALDH1A1 (0.56) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL4993020 0.81 ALDH1A1 (0.49) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL7919109 0.81 PTPN1 (0.48) ALDH1A1PTPN1PTPRCKMT2ANPC1
SCHEMBL9646513 0.77 ALDH1A1 (0.53) ALDH1A1SYKKMT2AMAPK1L3MBTL1
SCHEMBL6049011 0.77 ALDH1A1 (0.47) ALDH1A1PTPN1PTPRCKMT2AMAPK1

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