SCHEMBL4525975

SCHEMBL4525975

CC(=O)OCCCC(C)O[SiH3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.41
CHRM1 P11229 3/20 0.38
CHRM5 P08912 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
TBXA2R P21731 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PGR P06401 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
GALR3 O60755 3/20 0.36

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
SCHEMBL3363130 0.82 TSHR (0.51) ALDH1A1TSHRFAAH
SCHEMBL139931 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL10937757 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL126613 0.79 ALDH1A1 (0.56) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL5789741 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL7525915 0.78 TSHR (0.55) ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL20630298 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL3392019 0.77 ALDH1A1 (0.45) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL25380744 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15CHRM1CHRM5CHRM3
SCHEMBL8180021 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15CHRM1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076316-A1 PROCESS FOR PRODUCTION OF AROMATIC HYDROCARBON Ichikawa, Masaru (JP) 2009-03-19 US disclosed