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SCHEMBL7330506

SCHEMBL7330506

COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(F)(F)C(=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 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 8/20 0.49
▸ CTSB P07858 3/20 0.46
▸ CTSK P43235 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.43
▸ REN P00797 1/20 0.43

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
SCHEMBL7325223 0.87 CTSD (0.45) CTSDPSENENREN
SCHEMBL7329749 0.84 CTSD (0.54) CTSDPSENEN
SCHEMBL7322916 0.84 CTSD (0.54) CTSDPSENEN
SCHEMBL7331253 0.82 REN (0.43) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7331268 0.82 REN (0.43) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7323521 0.79 CDYL2 (0.41) CTSDCTSBCTSKALDH1A1THRB
SCHEMBL7331478 0.79 BACE1 (0.49) CTSDCTSBCTSKALDH1A1THRB
SCHEMBL7331474 0.79 BACE1 (0.49) CTSDCTSBCTSKALDH1A1THRB
SCHEMBL7330370 0.79 BACE1 (0.49) CTSDCTSBCTSKALDH1A1THRB
SCHEMBL7321512 0.78 CTSD (0.43) CTSDPSENENREN

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