SCHEMBL2363971

SCHEMBL2363971

CC[C@@H](OS(=O)(=O)c1ccc(C)cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
KMT2A Q03164 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
STAT3 P40763 1/20 0.38
TLR9 Q9NR96 1/20 0.38
PKM P14618 1/20 0.37
LMNA P02545 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
SCHEMBL3064836 0.86 SMN1; SMN2 (0.43) ALDH1A1GAAKMT2ASTAT3RECQL
SCHEMBL13433912 0.86 KMT2A (0.40) ALDH1A1GAAKMT2ACA1CA2
SCHEMBL7265141 0.86 SMN1; SMN2 (0.43) ALDH1A1GAAKMT2ASTAT3RECQL
SCHEMBL1990107 0.86 SMN1; SMN2 (0.43) ALDH1A1GAAKMT2ASTAT3RECQL
SCHEMBL2328955 0.84 KMT2A (0.46) ALDH1A1GAAKMT2ACA12CA1
SCHEMBL17789129 0.83 KMT2A (0.44) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL2326857 0.83 KMT2A (0.44) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL31712160 0.83 KMT2A (0.44) ALDH1A1GAAF2PRSS1PRSS2
SCHEMBL10807956 0.82 KMT2A (0.38) ALDH1A1GAAKMT2ACA12CA2
SCHEMBL3482877 0.81 ALDH1A1 (0.41) ALDH1A1GAAKMT2ACA12CA1

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
EP-1806339-B1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB PHARMA SA (BE) 2011-08-17 EP disclosed