SCHEMBL7330559

SCHEMBL7330559

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccc(OCc2ccccc2)cc1)C(=O)C(N)C(CO)CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
ERAP2 Q6P179 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
PSMB1 P20618 5/20 0.32
PSMB5 P28074 5/20 0.32
PSMB8 P28062 3/20 0.32
PSMB9 P28065 3/20 0.32
PSMB2 P49721 3/20 0.32
PSMB10 P40306 1/20 0.32
EPOR P19235 1/20 0.32
YAP1 P46937 1/20 0.32

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
SCHEMBL7321718 0.96 CTSS (0.32)
SCHEMBL7329900 0.90 MMP8 (0.31)
SCHEMBL7322952 0.90 CTSS (0.32) LNPEP
SCHEMBL7329470 0.90 CTSS (0.32) LNPEP
SCHEMBL7330004 0.87 ERAP2 (0.33) ERAP2
SCHEMBL7330032 0.87 ERAP2 (0.33) ERAP2
SCHEMBL10378291 0.86 LTA4H (0.39) LTA4HPSMB1PSMB5PSMB8PSMB9
SCHEMBL7322402 0.82 TPSAB1 (0.38) EPOR
SCHEMBL7328746 0.80 SYK (0.38)
SCHEMBL7327734 0.79 ALOX5 (0.32)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed