SCHEMBL3672453

SCHEMBL3672453

CC(=O)OC1/C=C\CCCCC1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.38
CHRM2 P08172 5/20 0.36
CHRM1 P11229 3/20 0.36
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NSD2 O96028 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
SERPINE1 P05121 2/20 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
SCHEMBL3672454 1.00 SLC18A3 (0.38) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL3677890 0.95 CHRM2 (0.37) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL18025086 0.90 CHRM2 (0.34) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL7522732 0.87 CHRM2 (0.38) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL7522735 0.87 CHRM2 (0.38) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL10478262 0.87 CHRM2 (0.38) SLC18A3CHRM2CHRM1CHRM4CHRM3
SCHEMBL31430880 0.83 MAPT (0.32) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL18025088 0.83 MAPT (0.32) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL3671896 0.80 RAB9A (0.33) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3671892 0.80 RAB9A (0.33) MEN1KMT2AMAPTRAB9ANPC1

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