SCHEMBL28520331

SCHEMBL28520331

CC(=O)CC(C)OC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.54
CHRM2 P08172 2/20 0.54
CHRM4 P08173 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TBXA2R P21731 1/20 0.35
BLM P54132 2/20 0.34
GALR3 O60755 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 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
SCHEMBL28520329 1.00 LMNA (0.54) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL14615689 0.83 LMNA (0.56) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL28952330 0.83 LMNA (0.56) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL18526466 0.81 LMNA (0.54) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL7249516 0.80 TSHR (0.54) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL22799246 0.79 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL28945815 0.77 LMNA (0.50) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL29728566 0.77 TSHR (0.60) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL17345827 0.76 TDP1 (0.46) LMNATSHRCHRM2CHRM4CHRM1
SCHEMBL13078322 0.76 ALDH1A1 (0.46) LMNATSHRCHRM2CHRM4CHRM1

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
CN-112334475-A BCL6 inhibitor 癌症研究技术有限公司 2021-02-05 CN disclosed