SCHEMBL8801460

SCHEMBL8801460

NC(=O)CC[C@H](NC(=O)CC1OC1C(Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.52
MME P08473 3/20 0.50
ECE1 P42892 3/20 0.50
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CTSL P07711 1/20 0.43
REN P00797 1/20 0.42

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
SCHEMBL8800318 0.94 CTSD (0.52) CTSDMMEECE1CTSBSMN1; SMN2
SCHEMBL7298678 0.85 MME (0.53) MMEECE1CTSBACESMN1; SMN2
SCHEMBL7295499 0.85 CTSL (0.51) CTSDMMEECE1CTSBCTSL
SCHEMBL9190618 0.85 CTSD (0.54) CTSDMMEECE1CTSBCTSL
SCHEMBL8661021 0.83 SMN1; SMN2 (0.48) MMEECE1CTSBSMN1; SMN2CTSL
SCHEMBL8663687 0.83 CTSD (0.47) CTSDMMEECE1CTSBCTSL
SCHEMBL8664364 0.82 CTSD (0.49) CTSDCTSBCTSL
SCHEMBL9412784 0.82 CTSD (0.52) CTSDCTSBCTSLREN
SCHEMBL8801420 0.81 CTSD (0.78) CTSDMMEECE1CTSBCTSL
SCHEMBL8944865 0.80 CTSL (0.50) CTSDMMEECE1CTSBCTSL

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-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP claimed