SCHEMBL7327018

SCHEMBL7327018

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
CTSD P07339 1/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NAAA Q02083 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL7321477 0.92 CASP1 (0.46) CASP1CTSDHPGD
SCHEMBL7329312 0.87 CTSD (0.42) CASP1CTSDHPGDSMN1; SMN2
SCHEMBL7320867 0.86 CASP1 (0.41) CASP1
SCHEMBL7332114 0.86 CASP1 (0.41) CASP1
SCHEMBL7324031 0.84 CASP1 (0.38) CASP1CTSDHPGDSMN1; SMN2ALOX5
SCHEMBL7319638 0.81 CTSK (0.46) CASP1CTSD
SCHEMBL9296296 0.78 MEN1 (0.35) CASP1CTSDALOX5
SCHEMBL7322813 0.77 CTSD (0.37) CASP1CTSD
SCHEMBL7332099 0.77 LNPEP (0.37) CASP1CTSDHPGDSMN1; SMN2
SCHEMBL7323405 0.76 SYK (0.46) CASP1CTSD

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO 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