SCHEMBL4754855

SCHEMBL4754855

CCOC(=O)c1c(C)nn(CCS(C)(=O)=O)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.48
MAPK1 P28482 2/20 0.46
PDE4B Q07343 2/20 0.43
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.39
P2RY12 Q9H244 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL4754838 0.82 POLB (0.51) MAPK1KMT2ALMNAMEN1ALDH1A1
SCHEMBL20427862 0.81 PDE4D (0.50) PDE4DMAPK1PDE4BHPGDSMN1; SMN2
SCHEMBL22979354 0.80 PDE4D (0.55) PDE4DMAPK1PDE4BHPGDSMN1; SMN2
SCHEMBL18782037 0.77 PDE4D (0.54) PDE4DMAPK1PDE4BHPGDSMN1; SMN2
SCHEMBL20551488 0.77 MAPK1 (0.43) PDE4DMAPK1HPGDSMN1; SMN2KMT2A
SCHEMBL14440775 0.76 PDE4D (0.51) PDE4DMAPK1PDE4BHPGDSMN1; SMN2
SCHEMBL8784515 0.75 PDE4D (0.56) PDE4DMAPK1PDE4BHPGDSMN1; SMN2
SCHEMBL18764828 0.75 PDE4D (0.50) PDE4DMAPK1PDE4BHPGDSMN1; SMN2
SCHEMBL18740310 0.73 MAPK1 (0.54) PDE4DMAPK1HPGDSMN1; SMN2KMT2A
SCHEMBL18764922 0.72 PDE4D (0.42) PDE4DMAPK1PDE4BHPGDKMT2A

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-2008157273-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed