Butanedione

Butanedione

SCHEMBL28258758

CC(=O)C(C)=O.CCN(CC)CC.NC(=S)S

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP2E1 P05181 1/20 0.39
PTGS1 P23219 1/20 0.39
GSDMD P57764 1/20 0.39
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
EHMT2 Q96KQ7 2/20 0.33

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
SCHEMBL8000101 0.87 ALDH1A1 (0.50) HPGDALDH1A1CYP2C9HSD17B10HTT
SCHEMBL5671517 0.82 ALDH1A1 (0.39) HPGDALDH1A1CYP2C9HSD17B10HTT
Butanedione SCHEMBL10788198 0.82 TSHR (0.50) ALDH1A1CA1CA2CA4TSHR
Cyclopentane SCHEMBL9838016 0.80 ALDH1A1 (0.44) HPGDALDH1A1CYP2C9HSD17B10HTT
Acetamide SCHEMBL28169514 0.79 LMNA (0.53) HPGDALDH1A1HSD17B10HTTCHRM2
SCHEMBL8775188 0.79 CHRM2 (0.42) HPGDALDH1A1CYP2C9HSD17B10HTT
SCHEMBL27977298 0.79 ALDH1A1 (0.52) HPGDALDH1A1CYP2C9HSD17B10HTT
SCHEMBL27379707 0.78 CHRM2 (0.35) HPGDALDH1A1CYP2C9HSD17B10HTT
Urea SCHEMBL9372825 0.76 LMNA (0.43) HPGDALDH1A1HTTCHRM2CHRM4
SCHEMBL5671521 0.73 ALDH1A1 (0.40) HPGDALDH1A1CYP2C9HSD17B10HTT

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
CN-108822004-A The pipe reaction synthetic method and device of continuous production acesulfame potassium intermediate 东营市科维生物技术有限公司 2018-11-16 CN claimed
CN-108822004-A The pipe reaction synthetic method and device of continuous production acesulfame potassium intermediate 东营市科维生物技术有限公司 2018-11-16 CN disclosed