SCHEMBL28847231

SCHEMBL28847231

CCOC(=O)CC(C)=O.Cc1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MGAM O43451 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
LMNA P02545 4/20 0.46
HTT P42858 4/20 0.44
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 4/20 0.41
TP53 P04637 1/20 0.41
BRD4 O60885 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39

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
2-Mercaptopyrimidine SCHEMBL28122772 0.86 MGAM (0.45) GAAMGAMSIMGAM2LMNA
Benzene SCHEMBL28270557 0.81 GAA (0.61) GAAMGAMSIMGAM2LMNA
SCHEMBL1330988 0.80
SCHEMBL1331782 0.80
SCHEMBL1331371 0.80
SCHEMBL1871576 0.80 GAA (0.74) GAAMGAMSIMGAM2LMNA
SCHEMBL1332259 0.80
SCHEMBL1330478 0.80
SCHEMBL15500 0.80
SCHEMBL1331762 0.80

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-106986833-A Auspicious pula life impurity and preparation method thereof 广东华南药业集团有限公司 2017-07-28 CN disclosed