Sugi Predict

Sugi Predict / Compounds / SCHEMBL7329470

SCHEMBL7329470

SCHEMBL7329470

COC(=O)[C@H](C(C)C)N(C(=O)CCCCCc1ccccc1)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 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ TLR2 O60603 1/20 0.31
▸ REN P00797 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL7322952 1.00 CTSS (0.32) CTSSCTSKTLR2RENMMP1
SCHEMBL7330032 0.94 ERAP2 (0.33) —
SCHEMBL7330004 0.94 ERAP2 (0.33) —
SCHEMBL7321718 0.94 CTSS (0.32) CTSSTLR2
SCHEMBL7330559 0.90 LTA4H (0.34) LNPEP
SCHEMBL7322631 0.89 CASP1 (0.34) —
SCHEMBL7332732 0.89 CASP1 (0.34) —
SCHEMBL7332144 0.89 CASP1 (0.34) —
SCHEMBL7329900 0.87 MMP8 (0.31) TLR2
SCHEMBL7328746 0.86 SYK (0.38) CTSSCTSKMMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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