SCHEMBL3673225

SCHEMBL3673225

CC(=O)OC1CCC=C(C)CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 2/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 2/20 0.35
MET P08581 1/20 0.34
PTGS1 P23219 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
EPAS1 Q99814 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
CYP19A1 P11511 5/20 0.32
USP2 O75604 1/20 0.32
CDC25B P30305 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
SCHEMBL3673221 1.00 TAS2R46 (0.35) TAS2R46CYP3A4ALOX15LMNAMET
SCHEMBL3680369 0.86 TAS2R46 (0.38) TAS2R46CYP3A4ALOX15LMNAMET
SCHEMBL3680367 0.86 TAS2R46 (0.38) TAS2R46CYP3A4ALOX15LMNAMET
SCHEMBL3675544 0.83 PTPN1 (0.38) CYP3A4CYP2C19TSHRCYP19A1
SCHEMBL3675543 0.83 PTPN1 (0.38) CYP3A4CYP2C19TSHRCYP19A1
SCHEMBL3670092 0.81 TAS2R46 (0.40) TAS2R46CYP3A4ALOX15LMNACYP2C9
SCHEMBL3670091 0.81 TAS2R46 (0.40) TAS2R46CYP3A4ALOX15LMNACYP2C9
SCHEMBL3672951 0.77 TAS2R46 (0.41) TAS2R46CYP3A4ALOX15LMNAMET
SCHEMBL3672947 0.77 TAS2R46 (0.41) TAS2R46CYP3A4ALOX15LMNAMET
SCHEMBL3672327 0.76 TDP1 (0.36) CYP3A4ALOX15METCYP2C9CYP2C19

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