SCHEMBL7347394

SCHEMBL7347394

CC(C)CC(=O)[C@H](O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
KLK5 Q9Y337 2/20 0.48
PTPN1 P18031 1/20 0.46
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
APP P05067 1/20 0.45
FCER2 P06734 2/20 0.43
MMP9 P14780 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
REN P00797 3/20 0.42
ACE P12821 2/20 0.42
MME P08473 1/20 0.41

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
SCHEMBL9439828 0.84 CTSB (0.54) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL7345250 0.84 CTSB (0.54) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL9439832 0.84 CTSB (0.54) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL9439843 0.84 CTSB (0.54) CTSBCTSSCTSKKLK5PTPN1
Acetone SCHEMBL7364225 0.78 CTSS (0.55) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL11028734 0.78 CTSS (0.62) CTSBCTSSCTSKPTPN1FCER2
SCHEMBL739925 0.77 CTSS (0.62) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL739924 0.77 CTSS (0.62) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL14332332 0.77 CTSS (0.62) CTSBCTSSCTSKKLK5PTPN1
SCHEMBL30753701 0.77 CTSS (0.62) CTSBCTSSCTSKKLK5PTPN1

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
WO-1992013545-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1992-08-20 WO disclosed