SCHEMBL7424569

SCHEMBL7424569

CCCC(NC(=O)OC(C)(C)C)C(F)(F)C(O)C(CC1CCCCC1)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
REN P00797 16/20 0.46
HTRA1 Q92743 1/20 0.45
SYK P43405 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL7429221 0.83 CTSK (0.52) CTSLRENCTSBCTSSCTSK
SCHEMBL7491645 0.83 SYK (0.49) CTSLRENHTRA1SYKCTSB
SCHEMBL7329100 0.82 CTSK (0.51) CTSLRENCTSBCTSSCTSK
SCHEMBL7434284 0.82 CTSK (0.51) CTSLRENCTSBCTSSCTSK
SCHEMBL13256207 0.81 REN (0.53) CTSLRENSYKCTSBCTSS
SCHEMBL8269721 0.81 REN (0.53) CTSLRENSYKCTSBCTSS
SCHEMBL12631595 0.81 REN (0.53) CTSLRENSYKCTSBCTSS
SCHEMBL7427885 0.80 CTSB (0.49) CTSLRENCTSBCTSSCTSK
SCHEMBL7294910 0.79 CTSK (0.53) CTSLRENCTSBCTSSCTSK
Acetone SCHEMBL7339838 0.79 REN (0.59) CTSLRENCTSBCTSSCTSK

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-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0368719-A2 Novel analogs of peptidase substrates MERRELL PHARMACEUTICALS INC. (US) 1990-05-16 EP disclosed