Sugi Predict

Sugi Predict / Compounds / SCHEMBL7344185

SCHEMBL7344185

SCHEMBL7344185

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 3/20 0.62
▸ REN P00797 2/20 0.58
▸ CTSK P43235 7/20 0.58
▸ CTSB P07858 3/20 0.58
▸ CTSS P25774 4/20 0.55
▸ CTSL P07711 3/20 0.55
▸ CASP3 P42574 1/20 0.54
▸ PSMB1 P20618 1/20 0.53

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
SCHEMBL7352027 1.00 CTSD (0.62) CTSDRENCTSKCTSBCTSS
SCHEMBL7347142 1.00 CTSD (0.62) CTSDRENCTSKCTSBCTSS
SCHEMBL9364557 0.91 REN (0.54) CTSDRENCTSKCTSBCTSS
SCHEMBL9740721 0.89 CTSD (0.76) CTSDRENCTSKCTSBCTSS
SCHEMBL9232828 0.89 CTSD (0.76) CTSDRENCTSKCTSBCTSS
SCHEMBL6445103 0.89 CTSD (0.76) CTSDRENCTSKCTSBCTSS
SCHEMBL6446151 0.89 CTSD (0.76) CTSDRENCTSKCTSBCTSS
SCHEMBL6446780 0.89 CTSD (0.76) CTSDRENCTSKCTSBCTSS
SCHEMBL6449641 0.87 CTSD (0.76) CTSDRENCTSKCTSBCTSS
SCHEMBL6132144 0.87 CTSD (0.76) CTSDRENCTSKCTSBCTSS

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
WO-1992006996-A1 PEPTIDES CONTAINING SUBSTITUTED 1,4-DIAMINES AS TRANSITION-STATE INSERTS THE UPJOHN COMPANY (US) 1992-04-30 — — WO claimed
WO-1992006996-A1 PEPTIDES CONTAINING SUBSTITUTED 1,4-DIAMINES AS TRANSITION-STATE INSERTS THE UPJOHN COMPANY (US) 1992-04-30 — — WO disclosed