SCHEMBL6049020

SCHEMBL6049020

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PIN1 Q13526 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.37
MMP8 P22894 1/20 0.37
CYP19A1 P11511 2/20 0.37
CASP1 P29466 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 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 0.84 POLB (0.45) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL26597157 0.83 POLB (0.44) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL7063607 0.82 ALDH1A1 (0.50) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL2770601 0.82 MEN1 (0.43) ALDH1A1MAPTNPSR1MEN1KMT2A
SCHEMBL23718650 0.82 POLB (0.43) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL23718629 0.79 ALDH1A1 (0.38) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL23718618 0.79 L3MBTL1 (0.39) ALDH1A1MAPTNPSR1PIN1MEN1
SCHEMBL7065146 0.79 MMP8 (0.51) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL5885245 0.79 ALDH1A1 (0.50) ALDH1A1MAPTPOLBNPSR1PIN1
SCHEMBL7919109 0.78 PTPN1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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