SCHEMBL7146717

SCHEMBL7146717

CN(Cc1ccccc1)C(=O)COC([C@@H]1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)CN1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 4/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL5412644 1.00 RAB9A (0.38) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL7141662 0.86 KIF11 (0.31)
SCHEMBL5410587 0.86 KIF11 (0.31)
SCHEMBL7137646 0.83 TLR2 (0.31)
SCHEMBL5405202 0.83 TLR2 (0.31)
SCHEMBL7140910 0.82 RAB9A (0.46) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5413398 0.82 RAB9A (0.46) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL7139333 0.75
SCHEMBL7139336 0.75
SCHEMBL7143845 0.74 POLB (0.39) RAB9AKMT2ANPC1POLB

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
EP-1303486-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002008185-A1 PYRROLIDINE DERIVATIVES AS METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-31 WO disclosed