SCHEMBL7324031

SCHEMBL7324031

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
CTSD P07339 1/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 1/20 0.35
CPB2 Q96IY4 1/20 0.34
ALOX5 P09917 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 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
SCHEMBL7332099 0.93 LNPEP (0.37) CASP1CTSDHPGDSMN1; SMN2
SCHEMBL7322813 0.89 CTSD (0.37) CASP1CTSD
SCHEMBL7327018 0.84 CASP1 (0.47) CASP1CTSDHPGDSMN1; SMN2MMP2
SCHEMBL7329312 0.83 CTSD (0.42) CASP1CTSDHPGDSMN1; SMN2KMT2A
SCHEMBL9754459 0.82 CTSD (0.34) CASP1CTSD
SCHEMBL7332552 0.81 CTSD (0.34) CTSDHDAC1HDAC2ALDH1A1
SCHEMBL7321477 0.81 CASP1 (0.46) CASP1CTSDHPGDKMT2A
SCHEMBL7324372 0.79 SDCBP (0.35) CASP1CTSD
SCHEMBL7328954 0.79 SDCBP (0.35) CASP1CTSD
SCHEMBL7324038 0.78 CTSD (0.40) CTSD

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