SCHEMBL7434284

SCHEMBL7434284

CC(C)[C@H](O)C(F)(F)[C@H](O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSL P07711 4/20 0.51
CTSB P07858 4/20 0.51
CTSS P25774 3/20 0.51
REN P00797 6/20 0.47
CASP1 P29466 1/20 0.45
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7329100 1.00 CTSK (0.51) CTSKCTSLCTSBCTSSREN
SCHEMBL7429221 0.93 CTSK (0.52) CTSKCTSLCTSBCTSSREN
SCHEMBL7278761 0.88 REN (0.50) CTSKCTSLCTSBCTSSREN
SCHEMBL7294910 0.87 CTSK (0.53) CTSKCTSLCTSBCTSSREN
SCHEMBL7276185 0.85 CTSL (0.52) CTSKCTSLCTSBCTSSREN
SCHEMBL7304744 0.85 CTSB (0.49) CTSKCTSLCTSBCTSSREN
SCHEMBL10445293 0.84 REN (0.46) CTSKCTSLCTSBCTSSREN
SCHEMBL7427885 0.83 CTSB (0.49) CTSKCTSLCTSBCTSSREN
SCHEMBL9011705 0.83 REN (0.50) CTSKCTSLCTSBCTSSREN
SCHEMBL7427667 0.82 REN (0.49) CTSKCTSLCTSBCTSSREN

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-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed