SCHEMBL3672776

SCHEMBL3672776

CC1=CCCCC(C)(O)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.34
MEN1 O00255 1/20 0.32
CNR2 P34972 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 1/20 0.32
CCR2 P41597 1/20 0.31
STAT3 P40763 1/20 0.31
MET P08581 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL3672771 1.00 PTAFR (0.34) PTAFRMEN1CNR2KMT2APPARA
SCHEMBL3683011 0.83 TRPA1 (0.33) PTAFRMEN1CNR2KMT2APPARA
SCHEMBL3683014 0.83 TRPA1 (0.33) PTAFRMEN1CNR2KMT2APPARA
SCHEMBL9630750 0.80 PTAFR (0.35) PTAFRMEN1CNR2KMT2APPARA
SCHEMBL9630742 0.80 PTAFR (0.35) PTAFRMEN1CNR2KMT2APPARA
SCHEMBL22516443 0.76
SCHEMBL3672511 0.70 CDC25B (0.36) CCR2
SCHEMBL11051364 0.69 PTPN1 (0.33) PTAFRMEN1CNR2KMT2APPARA
Hydrogen Peroxide SCHEMBL11552669 0.69
SCHEMBL9512789 0.69 PTPN1 (0.39) MEN1CNR2KMT2APPARA

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