SCHEMBL19112293

SCHEMBL19112293

COC(C)(C)CCOC(C)=O.COC(C)CCOC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
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

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
SCHEMBL31685161 0.84 ALOX15 (0.48) ALOX15ALDH1A1LMNACHRM5CHRM1
SCHEMBL36334 0.84 ALOX15 (0.48) ALOX15ALDH1A1LMNACHRM5CHRM1
SCHEMBL55735 0.84 ALDH1A1 (0.43) ALOX15ALDH1A1LMNACYP3A4TDP1
SCHEMBL15663140 0.82 ALOX15 (0.47) ALOX15ALDH1A1LMNACHRM5CHRM1
Acetic Acid SCHEMBL29199856 0.81 ALDH1A1 (0.40) ALOX15ALDH1A1LMNACYP3A4TDP1
Acetic Acid SCHEMBL29153703 0.81 ALOX15 (0.46) ALOX15ALDH1A1LMNACHRM5CHRM1
Propylene Glycol SCHEMBL5068933 0.80 CHRM5 (0.37) ALOX15ALDH1A1LMNACYP3A4TDP1
SCHEMBL29026580 0.80
SCHEMBL29135195 0.79 TSHR (0.36) ALOX15ALDH1A1LMNACYP3A4TDP1
Ethylene Glycol SCHEMBL10394675 0.79 ALOX15 (0.44) ALOX15ALDH1A1LMNACHRM5CHRM1

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-9709892-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the same FUJIFILM CORPORATION (JP) 2017-07-18 US disclosed