SCHEMBL6049025

SCHEMBL6049025

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PTPN1 P18031 4/20 0.47
PTPRC P08575 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
MEN1 O00255 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
SCHEMBL7920791 0.89 ALDH1A1 (0.46) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL6049011 0.84 ALDH1A1 (0.47) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL6049015 0.83 ALDH1A1 (0.44) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL7919109 0.80 PTPN1 (0.48) ALDH1A1PTPN1PTPRCKMT2ALMNA
SCHEMBL6229352 0.78 ALDH1A1 (0.55) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL6049021 0.77 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL6108042 0.76 ALDH1A1 (0.58) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL24425865 0.75 ALDH1A1 (0.49) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL1555294 0.75 PTPN1 (0.61) ALDH1A1PTPN1PTPRCTDP1KMT2A
SCHEMBL528359 0.75 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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