SCHEMBL20169575

SCHEMBL20169575

CC(=O)OC1C2CCCC(C2)C1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
CYP2D6 P10635 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 7/20 0.43
CHRM1 P11229 6/20 0.43
CHRM4 P08173 4/20 0.43
CHRM3 P20309 4/20 0.43
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TSHR P16473 1/20 0.34
CHRM5 P08912 2/20 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
SCHEMBL4358622 0.86 MEN1 (0.54) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL21642935 0.80 ALDH1A1 (0.49) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL17995470 0.79 MEN1 (0.40) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL25959836 0.78 MEN1 (0.38) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL13766971 0.78 ALDH1A1 (0.36) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL11122133 0.77 CHRM2 (0.43) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL24879344 0.77 MEN1 (0.41) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL13567862 0.77 MEN1 (0.38) MEN1CYP2D6KMT2AALDH1A1CHRM2
Hydrochloric Acid SCHEMBL28769363 0.76 MEN1 (0.42) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL4366002 0.75 ALDH1A1 (0.49) MEN1CYP2D6KMT2AALDH1A1CHRM2

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-9977330-B2 Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-22 US disclosed