SCHEMBL3677682

SCHEMBL3677682

CC(=O)OC1CCC=CCCC1(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 2/20 0.38
ACHE P22303 1/20 0.32
F10 P00742 2/20 0.32
CYP19A1 P11511 5/20 0.31
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
BRCA1 P38398 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP17A1 P05093 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
SCHEMBL3677681 1.00 ALOX15 (0.39) ALOX15CYP3A4ACHEF10CYP19A1
SCHEMBL8675008 0.80 ALOX15 (0.40) ALOX15CYP3A4ACHEF10CYP19A1
SCHEMBL3675822 0.78 LMNA (0.31) LMNA
SCHEMBL3675820 0.78 LMNA (0.31) LMNA
SCHEMBL8444775 0.78 ALOX15 (0.39) ALOX15CYP3A4ACHEF10CYP19A1
SCHEMBL3670481 0.78 FNTA (0.38) ALOX15CYP3A4F10CYP19A1MEN1
SCHEMBL3670483 0.78 FNTA (0.38) ALOX15CYP3A4F10CYP19A1MEN1
SCHEMBL3670501 0.78 F10 (0.36) ALOX15CYP3A4F10CYP19A1MEN1
SCHEMBL3670498 0.78 F10 (0.36) ALOX15CYP3A4F10CYP19A1MEN1
SCHEMBL8674651 0.77 ALOX15 (0.38) ALOX15CYP3A4ACHEF10HSD11B1

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
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