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Sugi Predict / Compounds / SCHEMBL8120691

SCHEMBL8120691

SCHEMBL8120691

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 5/20 0.61
▸ CTSL P07711 2/20 0.58
▸ REN P00797 9/20 0.53
▸ CTSE P14091 1/20 0.52
▸ PGC P20142 1/20 0.52
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL7332402 0.90 CA2 (0.55) CTSDCTSLRENCTSEPGC
SCHEMBL6449641 0.88 CTSD (0.76) CTSDCTSLRENCTSBCTSS
SCHEMBL6132144 0.88 CTSD (0.76) CTSDCTSLRENCTSBCTSS
Acetic Acid SCHEMBL7270658 0.86 CTSD (0.73) CTSDCTSLRENCTSBCTSS
SCHEMBL9740721 0.86 CTSD (0.76) CTSDCTSLRENCTSBCTSS
SCHEMBL6445103 0.86 CTSD (0.76) CTSDCTSLRENCTSBCTSS
SCHEMBL9232828 0.86 CTSD (0.76) CTSDCTSLRENCTSBCTSS
SCHEMBL6446151 0.86 CTSD (0.76) CTSDCTSLRENCTSBCTSS
SCHEMBL6446780 0.86 CTSD (0.76) CTSDCTSLRENCTSBCTSS
SCHEMBL7279813 0.84 CTSD (0.56) CTSDCTSLRENCTSEPGC

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-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 — — EP disclosed