SCHEMBL7322631

SCHEMBL7322631

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

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.34
MASP2 O00187 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL7332144 1.00 CASP1 (0.34) CASP1MASP2F2
SCHEMBL7332732 1.00 CASP1 (0.34) CASP1MASP2F2
SCHEMBL7322873 0.94 CES1 (0.35)
SCHEMBL7324394 0.90 TPSAB1 (0.40) CASP1
SCHEMBL7329315 0.89 ALOX5 (0.37)
SCHEMBL7329240 0.89 CTSL (0.38) CASP1
SCHEMBL7324594 0.89 CTSL (0.38) CASP1
SCHEMBL7329470 0.89 CTSS (0.32)
SCHEMBL7322952 0.89 CTSS (0.32)
SCHEMBL7323129 0.87 ERAP2 (0.36)

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