SCHEMBL13346554

SCHEMBL13346554

CC(=O)OCCC1C2C=CC(C2)C1COC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.36
ALDH1A1 P00352 2/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 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
SCHEMBL13346553 0.93 ALDH1A1 (0.38) NLRP3ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL13346552 0.90 ALDH1A1 (0.39) NLRP3ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL7230011 0.89 NLRP3 (0.41) NLRP3ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL30959771 0.89 NLRP3 (0.41) NLRP3ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL454418 0.89 NLRP3 (0.41) NLRP3ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL13346533 0.87 ALDH1A1 (0.41) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL13346573 0.83 NLRP3 (0.32) NLRP3
SCHEMBL13346537 0.83 NLRP3 (0.37) NLRP3ALDH1A1SMN1; SMN2TSHRRAB9A
SCHEMBL1088791 0.79 NLRP3 (0.37) NLRP3ALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL11155717 0.78 ALDH1A1 (0.35) ALDH1A1CHRM5CHRM1CHRM3PGR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed