SCHEMBL3671543

SCHEMBL3671543

CC(=O)OC1CC(C)=CCCC(C)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
CYP19A1 P11511 1/20 0.34
RAB9A P51151 1/20 0.33
MET P08581 1/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
TAS2R46 P59540 2/20 0.31
CYP17A1 P05093 1/20 0.31
DPP4 P27487 1/20 0.31
CDC25B P30305 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3671542 1.00 ALOX15 (0.34) ALOX15TSHRCYP19A1RAB9AMET
SCHEMBL3669828 0.85 CYP19A1 (0.33) CYP19A1RAB9A
SCHEMBL3669830 0.85 CYP19A1 (0.33) CYP19A1RAB9A
SCHEMBL3672330 0.79 TDP1 (0.36) ALOX15TSHRCYP19A1METCYP3A4
SCHEMBL3672327 0.79 TDP1 (0.36) ALOX15TSHRCYP19A1METCYP3A4
Acetic Acid Methyl Ester SCHEMBL4321573 0.77 ALDH1A1 (0.36) ALOX15RAB9AMETCYP3A4TDP1
SCHEMBL3678488 0.74
SCHEMBL3678485 0.74
SCHEMBL3675023 0.74
SCHEMBL3673225 0.72 TAS2R46 (0.35) ALOX15TSHRCYP19A1METCYP3A4

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