SCHEMBL5165893

SCHEMBL5165893

CC(=O)CCCCCCCCCCCCCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
PAOX Q6QHF9 3/20 0.50
LMNA P02545 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TSHR P16473 3/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRNB2 P17787 1/20 0.43
TBXA2R P21731 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5468558 1.00 ALDH1A1 (0.56) ALDH1A1PAOXLMNAAPOBEC3AAPOBEC3G
SCHEMBL4940227 1.00 ALDH1A1 (0.56) ALDH1A1PAOXLMNAAPOBEC3AAPOBEC3G
SCHEMBL5182293 1.00 ALDH1A1 (0.56) ALDH1A1PAOXLMNAAPOBEC3AAPOBEC3G
SCHEMBL6128478 0.98 ALDH1A1 (0.58) ALDH1A1PAOXLMNAAPOBEC3AAPOBEC3G
SCHEMBL12917472 0.92 DGKA (0.53) ALDH1A1PAOXLMNAAPOBEC3AAPOBEC3G
SCHEMBL305496 0.90 ALDH1A1 (0.61) ALDH1A1PAOXLMNAAPOBEC3AAPOBEC3G
SCHEMBL5167245 0.88 EPHX2 (0.46) ALDH1A1LMNACHRM1PGRTBXA2R
SCHEMBL11492305 0.87 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL8607908 0.87 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GTSHR
SCHEMBL5136503 0.87 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
EP-1773123-A1 PHEROMONES East Malling Research Limited (GB) 2007-04-18 EP disclosed
WO-2006000798-A1 PHEROMONES EAST MALLING RESEARCH LIMITED (GB) 2006-01-05 WO disclosed