SCHEMBL7140910

SCHEMBL7140910

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 4/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5413398 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7146717 0.82 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL5413396 0.67 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL5413395 0.67 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7148484 0.65 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL13256444 0.64 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7141026 0.61 POLB (0.54) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL7144894 0.61 POLB (0.54) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4072151 0.61 NPC1 (0.85) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL5145643 0.61 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1

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