SCHEMBL7919486

SCHEMBL7919486

C=C(CC(C#N)(CC(=C)C(=O)OCC)C(=O)OCC)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 1/20 0.37
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GLO1 Q04760 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
THRB P10828 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL14016347 0.80 MEN1 (0.46) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL2770601 0.78 MEN1 (0.43) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL1963 0.77 ALDH1A1 (0.50) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL7067023 0.77 MMP8 (0.42) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL22490385 0.77 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL8399191 0.76 MEN1 (0.48) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL7066945 0.75 MEN1 (0.41) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL22490102 0.75 TET2 (0.41) ALDH1A1TSHRKMT2AMEN1MAPT
SCHEMBL7722774 0.74 MEN1 (0.52) ALDH1A1TSHRKMT2AMEN1CYP2C9
SCHEMBL15451360 0.74 MEN1 (0.43) ALDH1A1TSHRKMT2AMEN1CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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