SCHEMBL6049012

SCHEMBL6049012

C=C(CC(CC(=C)C(=O)OCC)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
HSD11B1 P28845 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37

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
SCHEMBL5080063 0.78 HSD11B1 (0.58) ALDH1A1MAPTHSD11B1LMNAGAA
SCHEMBL9755720 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHSD11B1LMNAGAA
SCHEMBL5884983 0.75 MAPT (0.50) ALDH1A1MAPTHSD11B1GAAKMT2A
SCHEMBL1626849 0.72 OPRM1 (0.52) ALDH1A1MAPTGAAATMKMT2A
SCHEMBL1464318 0.72 HSD11B1 (0.51) ALDH1A1MAPTHSD11B1LMNAGAA
SCHEMBL18203192 0.72 ALDH1A1 (0.50) ALDH1A1MAPTHSD11B1LMNAGAA
SCHEMBL13660327 0.71 PIN1 (0.49) ALDH1A1MAPTHSD11B1LMNAGAA
SCHEMBL28942000 0.71 KMT2A (0.51) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL7063607 0.70 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL12537092 0.70 MAPT (0.46) ALDH1A1MAPTGAAKMT2AMEN1

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