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Sugi Predict / Compounds / SCHEMBL7330004

SCHEMBL7330004

SCHEMBL7330004

COC(=O)[C@H](C(C)C)N(C(=O)CCCCCc1ccc(O)cc1)C(=O)[C@@H](N)C(CO)CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)[C@@H](N)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ SPHK1 Q9NYA1 2/20 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
SCHEMBL7330032 1.00 ERAP2 (0.33) ERAP2ERAP1SPHK1
SCHEMBL7322952 0.94 CTSS (0.32) —
SCHEMBL7329470 0.94 CTSS (0.32) —
SCHEMBL7321718 0.89 CTSS (0.32) —
SCHEMBL7323122 0.87 CA2 (0.34) ERAP2ERAP1
SCHEMBL7330559 0.87 LTA4H (0.34) ERAP2
SCHEMBL7322415 0.86 SPHK1 (0.33) SPHK1
SCHEMBL7333441 0.86 SPHK1 (0.33) SPHK1
SCHEMBL7323129 0.84 ERAP2 (0.36) ERAP2ERAP1SPHK1
SCHEMBL10377223 0.83 ERAP2 (0.36) ERAP2ERAP1SPHK1

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