SCHEMBL13346552

SCHEMBL13346552

CC(=O)OCCCC1C2C=CC(C2)C1COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
NLRP3 Q96P20 2/20 0.34
LMNA P02545 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CA2 P00918 1/20 0.31
MAPT P10636 1/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 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
SCHEMBL13346554 0.90 NLRP3 (0.36) ALDH1A1NLRP3MAPTCHRM5CHRM1
SCHEMBL30959771 0.87 NLRP3 (0.41) ALDH1A1NLRP3LMNASMN1; SMN2
SCHEMBL454418 0.87 NLRP3 (0.41) ALDH1A1NLRP3LMNASMN1; SMN2
SCHEMBL7230011 0.87 NLRP3 (0.41) ALDH1A1NLRP3LMNASMN1; SMN2
SCHEMBL13346534 0.84 ALDH1A1 (0.39) ALDH1A1LMNAAPOBEC3AAPOBEC3GCA2
SCHEMBL13346553 0.83 ALDH1A1 (0.38) ALDH1A1NLRP3LMNACA2CHRM5
SCHEMBL13346537 0.80 NLRP3 (0.37) ALDH1A1NLRP3LMNASMN1; SMN2TSHR
SCHEMBL13346533 0.78 ALDH1A1 (0.41) ALDH1A1LMNACHRM5CHRM1CHRM3
SCHEMBL1088791 0.77 NLRP3 (0.37) ALDH1A1NLRP3LMNASMN1; SMN2
SCHEMBL1088512 0.76 NLRP3 (0.36) ALDH1A1NLRP3LMNASMN1; SMN2TSHR

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