SCHEMBL4754838

SCHEMBL4754838

Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
APAF1 O14727 2/20 0.34
ALKBH1 Q13686 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 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
SCHEMBL4754855 0.82 PDE4D (0.48) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL20378348 0.80 POLB (0.57) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL19119188 0.80 POLB (0.57) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL28015987 0.77 POLB (0.54) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL8306766 0.75 POLB (0.60) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL354838 0.73 POLB (0.50) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL353583 0.72 POLB (0.49) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL20551504 0.71 GABRP (0.33) GAAMAPK1
SCHEMBL20378245 0.70 POLB (0.54) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL1335845 0.69 KDM4E (0.60) POLBMEN1KMT2AGAAALDH1A1

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