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SCHEMBL7323598

SCHEMBL7323598

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCCC1C(O)C(CC1CCCCC1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.48
▸ CTSD P07339 6/20 0.48
▸ PSMB5 P28074 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ METAP2 P50579 2/20 0.33
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL7331769 1.00 BACE1 (0.48) BACE1CTSDPSMB5TSHRMETAP2
SCHEMBL7324941 0.87 BACE1 (0.39) BACE1CTSDPSMB5TSHRREN
SCHEMBL7322824 0.85 BACE1 (0.55) BACE1CTSD
SCHEMBL7331111 0.85 BACE1 (0.55) BACE1CTSD
SCHEMBL9754554 0.85 BACE1 (0.55) BACE1CTSD
SCHEMBL7320854 0.85 BACE1 (0.55) BACE1CTSD
SCHEMBL7325941 0.84 BACE1 (0.44) BACE1CTSDPSMB5TSHRMETAP2
SCHEMBL7324457 0.83 BACE1 (0.41) BACE1CTSDMETAP2FNTAFNTB
SCHEMBL7326963 0.82 CTSS (0.40) BACE1CTSDPSMB5TSHRREN
SCHEMBL7325334 0.81 BACE1 (0.56) BACE1CTSD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO claimed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP claimed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 — — WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed