SCHEMBL13844718

SCHEMBL13844718

CCOC(=O)C1CC[C@H](Cc2ccc(Cl)c(Cl)c2)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MDM2 Q00987 1/20 0.38
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9044139 0.71 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL3999663 0.70 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL5744006 0.69 KDM4E (1.00) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL9042858 0.67 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL31229133 0.66 MEN1 (0.48) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL7433338 0.66 HTT (0.52) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL14153750 0.65 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1KDM4ETSHRMEN1
SCHEMBL25787103 0.65 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL901639 0.65 CYP4F2 (0.61) SMN1; SMN2ALDH1A1KDM4ETSHRLMNA
SCHEMBL31441301 0.64 TSHR (0.60) SMN1; SMN2ALDH1A1KDM4ETSHRLMNA

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
WO-2009056520-A1 AZABICYCLO[3.2.1]OCTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2009-05-07 WO disclosed