SCHEMBL7299781

SCHEMBL7299781

COCO[C@@H](C1CO1)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
REN P00797 10/20 0.39
AAK1 Q2M2I8 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CACNA1B Q00975 1/20 0.35
GAA P10253 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7280424 0.90 CTSS (0.42) CTSSCTSKRENAAK1CA1
SCHEMBL7305026 0.83 CTSS (0.46) CTSSCTSKRENAAK1CA1
SCHEMBL10407971 0.83 CTSS (0.46) CTSSCTSKRENAAK1CA1
SCHEMBL10448350 0.83 CTSS (0.46) CTSSCTSKRENAAK1CA1
SCHEMBL7280431 0.83 CTSS (0.41) CTSSCTSKRENAAK1CA1
SCHEMBL7264769 0.82 CTSS (0.50) CTSSCTSKRENAAK1CA1
SCHEMBL10407740 0.82 CTSS (0.50) CTSSCTSKRENAAK1CA1
SCHEMBL7292672 0.79 CTSS (0.46) CTSSCTSKRENAAK1CA1
SCHEMBL28848451 0.78 CTSK (0.53) CTSSCTSKRENAAK1CA1
SCHEMBL7375658 0.78 CTSK (0.53) CTSSCTSKRENAAK1CA1

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
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed