SCHEMBL697248

SCHEMBL697248

COC(=O)C1CCCN1C(=O)CC(=O)CS(=O)(=O)CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
FKBP1A P62942 4/20 0.41
ALDH1A1 P00352 2/20 0.40
PEPD P12955 2/20 0.39
XPNPEP1 Q9NQW7 1/20 0.39
CNR2 P34972 3/20 0.39
LOX P28300 1/20 0.38
ACE P12821 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KLK5 Q9Y337 1/20 0.36

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
SCHEMBL695669 0.84 POLB (0.46) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL13041433 0.78 FKBP1A (0.51) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL695502 0.76 ACE (0.48) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL14902190 0.75 POLB (0.52) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL4179454 0.73 FKBP1A (0.55) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL13662643 0.73 FKBP1A (0.55) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL7333530 0.73 POLB (0.54) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL7333522 0.73 POLB (0.54) LMNARAB9ASMN1; SMN2PKMPOLB
SCHEMBL696794 0.73 ALDH1A1 (0.48) LMNARAB9ASMN1; SMN2PKMFKBP1A
SCHEMBL23135776 0.72 ALDH1A1 (0.54) LMNARAB9ASMN1; SMN2PKMPOLB

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-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed