SCHEMBL7429221

SCHEMBL7429221

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.52
CTSB P07858 3/20 0.52
CTSS P25774 3/20 0.52
CTSL P07711 3/20 0.52
REN P00797 5/20 0.48
CASP1 P29466 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 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 0.93 CTSK (0.51) CTSKCTSBCTSSCTSLREN
SCHEMBL7434284 0.93 CTSK (0.51) CTSKCTSBCTSSCTSLREN
SCHEMBL7278761 0.89 REN (0.50) CTSKCTSBCTSSCTSLREN
SCHEMBL7294910 0.88 CTSK (0.53) CTSKCTSBCTSSCTSLREN
SCHEMBL7304744 0.86 CTSB (0.49) CTSKCTSBCTSSCTSLREN
SCHEMBL7276185 0.84 CTSL (0.52) CTSKCTSBCTSSCTSLREN
SCHEMBL7427885 0.84 CTSB (0.49) CTSKCTSBCTSSCTSLREN
SCHEMBL7427667 0.83 REN (0.49) CTSKCTSBCTSSCTSLREN
SCHEMBL7424569 0.83 CTSL (0.46) CTSKCTSBCTSSCTSLREN
SCHEMBL10445293 0.83 REN (0.46) CTSKCTSBCTSSCTSLREN

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