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Sugi Predict / Compounds / SCHEMBL7323628

SCHEMBL7323628

SCHEMBL7323628

CCCCCC(=O)N[C@@](C)(C(=O)NC(C(=O)N[C@H](CN)C(C)C)C(C)C)C(CO)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ SIRT1 Q96EB6 2/20 0.32
▸ SIRT3 Q9NTG7 2/20 0.32
▸ REN P00797 1/20 0.32
▸ CTSD P07339 3/20 0.32
▸ TLR2 O60603 2/20 0.31
▸ CASP1 P29466 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
SCHEMBL7329554 0.91 SIRT2 (0.35) SIRT2CTSBCTSKSIRT1SIRT3
SCHEMBL7324588 0.88 CTSD (0.32) CTSD
SCHEMBL7319908 0.87 REN (0.37) SIRT2CTSBCTSKSIRT1SIRT3
SCHEMBL7328933 0.81 SOAT1 (0.37) SIRT2SIRT1SIRT3TLR2
SCHEMBL7328766 0.80 SOAT1 (0.31) —
SCHEMBL7330316 0.79 SOAT1 (0.31) CTSD
SCHEMBL7331182 0.79 SOAT1 (0.32) TLR2
SCHEMBL7331504 0.78 SIRT2 (0.38) SIRT2CTSBCTSKSIRT1SIRT3
SCHEMBL7326622 0.77 CTSB (0.41) SIRT2CTSBCTSKSIRT1SIRT3
SCHEMBL7321181 0.77 SIRT2 (0.39) SIRT2CTSKSIRT1SIRT3TLR2

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-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