SCHEMBL3672742

SCHEMBL3672742

C/C1=C/CCC2OC2(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
NLRP3 Q96P20 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP1A2 P05177 2/20 0.39
STAT6 P42226 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
CASP1 P29466 1/20 0.39
PTGS2 P35354 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL3672743 1.00 CYP3A4 (0.41) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL20165805 0.96 STAT3 (0.41) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL17203745 0.96 STAT3 (0.41) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL17203744 0.96 STAT3 (0.41) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL23234194 0.92 CYP3A4 (0.43) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL9630687 0.91 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL21802956 0.91 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL9630684 0.91 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL9630691 0.91 CYP3A4 (0.44) CYP3A4ALDH1A1LMNATP53NLRP3
SCHEMBL3676277 0.85 CYP3A4 (0.48) CYP3A4ALDH1A1LMNATP53NLRP3

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