SCHEMBL15698564

SCHEMBL15698564

COC(OC)c1cc(C)c(C(N)=O)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.33
POLB P06746 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SLC9A1 P19634 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15698695 0.82 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL15711614 0.81 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15698617 0.79 POLB (0.33) POLBL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL8587349 0.72 POLB (0.39) POLBL3MBTL1KMT2AMEN1SLC9A1
SCHEMBL15711606 0.67 ALDH1A1 (0.39) POLBL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL15698543 0.66 CELA1 (0.37) POLBL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL353258 0.66 MEN1 (0.49) POLBL3MBTL1KMT2AMEN1SLC9A1
SCHEMBL10547456 0.63 GSK3B (0.35) POLBL3MBTL1KMT2AMEN1SLC9A1
SCHEMBL6800447 0.60 CYP3A4 (0.50) POLBSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4522155 0.60 SLC9A1 (0.40) POLBL3MBTL1SMN1; SMN2KMT2AMEN1

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
US-8729110-B1 2-thio-1,3,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-20 US disclosed