SCHEMBL3672327

SCHEMBL3672327

CC(=O)OC1CCCC/C=C(/C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP17A1 P05093 1/20 0.35
DPP4 P27487 1/20 0.35
MET P08581 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CDC25B P30305 2/20 0.34
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
SRD5A2 P31213 1/20 0.32

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
SCHEMBL3672330 1.00 TDP1 (0.36) TDP1CYP3A4CYP2C9CYP2C19CYP17A1
SCHEMBL3680639 0.83 POLB (0.35) TDP1MEN1KMT2APOLBCASP6
SCHEMBL3680637 0.83 POLB (0.35) TDP1MEN1KMT2APOLBCASP6
SCHEMBL3680367 0.79 TAS2R46 (0.38) TDP1CYP3A4CYP2C9CYP2C19MET
SCHEMBL3680369 0.79 TAS2R46 (0.38) TDP1CYP3A4CYP2C9CYP2C19MET
SCHEMBL3671542 0.79 ALOX15 (0.34) TDP1CYP3A4CYP2C9CYP2C19CYP17A1
SCHEMBL3671543 0.79 ALOX15 (0.34) TDP1CYP3A4CYP2C9CYP2C19CYP17A1
SCHEMBL3672123 0.78 FNTA (0.39) METMEN1KMT2AALOX15TSHR
SCHEMBL3672117 0.78 FNTA (0.39) METMEN1KMT2AALOX15TSHR
SCHEMBL3673225 0.76 TAS2R46 (0.35) TDP1CYP3A4CYP2C9CYP2C19MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723423-B2 Gas-barrier resin composition CRYOVAC, INC. (US) 2010-05-25 US disclosed
EP-1746131-B1 Gas-barrier resin composition CRYOVAC INC (US) 2009-01-21 EP disclosed
US-7285598-B2 Polymer and process for producing the same KURARAY CO., LTD. (JP) 2007-10-23 US disclosed
US-20070093599-A1 Gas-barrier resin composition CRYOVAC, INC. (US) 2007-04-26 US disclosed
US-20070021556-A1 Gas-barrier resin composition KURARAY CO. LTD. (JP) 2007-01-25 US disclosed
EP-1746131-A2 Gas-barrier resin composition Cryovac, Inc. (US) 2007-01-24 EP disclosed
US-20060149009-A1 Produced by ring-opening, in the presence of a metal alkylidene complex comprising a ligand with an imidazolidine structure, a cyclic olefin comprising at least one cyclic olefin further comprising a hydroxy group or a functional group that can be converted into a hydroxy group, and hydrogenating KURARAY CO., LTD. (JP) 2006-07-06 US disclosed
EP-1598384-A1 NOVEL POLYMER AND PROCESS FOR PRODUCING THE SAME KURARAY CO., LTD. (JP) 2005-11-23 EP disclosed