SCHEMBL3672374

SCHEMBL3672374

CC(=O)OC1C/C=C(/C)CCCC1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 2/20 0.42
LMNA P02545 3/20 0.39
CHRM2 P08172 5/20 0.37
CHRM1 P11229 3/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
SLC18A3 Q16572 2/20 0.37
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SERPINE1 P05121 2/20 0.33

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
SCHEMBL3672376 1.00 TAS2R46 (0.42) TAS2R46LMNACHRM2CHRM1CHRM4
SCHEMBL3678222 0.84 PTPN1 (0.34) TAS2R46LMNAALOX15CYP3A4TSHR
SCHEMBL3678220 0.84 PTPN1 (0.34) TAS2R46LMNAALOX15CYP3A4TSHR
SCHEMBL3670092 0.77 TAS2R46 (0.40) TAS2R46LMNAALOX15CYP3A4TSHR
SCHEMBL3670091 0.77 TAS2R46 (0.40) TAS2R46LMNAALOX15CYP3A4TSHR
SCHEMBL3672951 0.76 TAS2R46 (0.41) TAS2R46LMNACHRM2CHRM1CHRM4
SCHEMBL3672947 0.76 TAS2R46 (0.41) TAS2R46LMNACHRM2CHRM1CHRM4
SCHEMBL11583404 0.75 CYP19A1 (0.39) TAS2R46LMNACHRM2CHRM1CHRM4
SCHEMBL3673225 0.75 TAS2R46 (0.35) TAS2R46LMNAALOX15CYP3A4TSHR
SCHEMBL3673221 0.75 TAS2R46 (0.35) TAS2R46LMNAALOX15CYP3A4TSHR

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