SCHEMBL7332099

SCHEMBL7332099

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)OCc1ccccc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 4/20 0.37
ERAP2 Q6P179 3/20 0.37
ERAP1 Q9NZ08 2/20 0.37
CTSD P07339 2/20 0.37
CASP1 P29466 1/20 0.37
IL1RN P18510 1/20 0.36
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7322813 0.94 CTSD (0.37) CTSDCASP1CA2CA5A
SCHEMBL7324031 0.93 CASP1 (0.38) CTSDCASP1HPGDSMN1; SMN2
SCHEMBL7329312 0.84 CTSD (0.42) CTSDCASP1HPGDSMN1; SMN2
SCHEMBL9754459 0.83 CTSD (0.34) ERAP2ERAP1CTSDCASP1CA2
SCHEMBL9754438 0.82 ALOX5 (0.32) CA2CA5AHPGD
SCHEMBL9754633 0.82 LNPEP (0.39) LNPEPERAP2ERAP1CTSDIL1RN
SCHEMBL7321477 0.81 CASP1 (0.46) CTSDCASP1HPGD
Hydrochloric Acid SCHEMBL7331042 0.81 CASP1 (0.43) LNPEPERAP2ERAP1CTSDCASP1
SCHEMBL7323405 0.81 SYK (0.46) ERAP2ERAP1CTSDCASP1IL1RN
SCHEMBL7319638 0.81 CTSK (0.46) CTSDCASP1CTSBCTSKCA2

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