SCHEMBL13201289

SCHEMBL13201289

CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C(=O)O)C[C@H]3CCC[C@H]32)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
USP2 O75604 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL8320621 0.89 POLB (0.60) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL13201300 0.84 LMNA (0.53) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2969347 0.84 LMNA (0.53) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2969335 0.84 ALDH1A1 (0.58) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL8319711 0.84 ALDH1A1 (0.58) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL8320723 0.84 PSEN1 (0.43) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2964063 0.84 PSEN1 (0.43) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2953994 0.84 ACHE (0.54) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL8320192 0.83 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2958796 0.83 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed