SCHEMBL7329240

SCHEMBL7329240

COC(=O)[C@H](C(C)C)N(C(=O)CCCCCc1ccccc1)C(=O)[C@@H](N)C(CO)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.37
SIRT2 Q8IXJ6 3/20 0.37
SIRT1 Q96EB6 3/20 0.37
SIRT3 Q9NTG7 3/20 0.37
CASP1 P29466 2/20 0.37
CAPN1 P07384 1/20 0.36
LGMN Q99538 2/20 0.36
TLR2 O60603 1/20 0.36
CA5A P35218 1/20 0.36
APC P25054 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL7324594 1.00 CTSL (0.38) CTSLCTSBCTSKSIRT2SIRT1
SCHEMBL7324394 0.94 TPSAB1 (0.40) CTSLCTSBCTSKSIRT2SIRT1
SCHEMBL7322402 0.90 TPSAB1 (0.38)
SCHEMBL7332144 0.89 CASP1 (0.34) CASP1
SCHEMBL7322631 0.89 CASP1 (0.34) CASP1
SCHEMBL7332732 0.89 CASP1 (0.34) CASP1
SCHEMBL7322873 0.89 CES1 (0.35)
SCHEMBL7319954 0.86 CA2 (0.35) CA5AAPC
SCHEMBL7329315 0.85 ALOX5 (0.37)
SCHEMBL7323129 0.84 ERAP2 (0.36) TLR2

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