SCHEMBL28084292

SCHEMBL28084292

CC(=O)OCCCCCCCOC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
LMNA P02545 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
TSHR P16473 4/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
PGR P06401 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
HTR1A P08908 1/20 0.52
CHRNB2 P17787 1/20 0.52
TBXA2R P21731 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.52

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
SCHEMBL250642 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL29414114 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11491818 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL4441760 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL11492305 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL273326 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL8607908 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL5136503 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL15299079 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL27016412 1.00 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884613-A Compound and application of compound in preparation of orseolia oryzae sex attractant 中国农业大学 2016-08-24 CN disclosed
CN-105724380-A Rice gall midge sex attractant and application thereof 中国农业大学 2016-07-06 CN disclosed