SCHEMBL7323154

SCHEMBL7323154

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.69
CTSS P25774 4/20 0.68
PPARG P37231 2/20 0.63
REN P00797 5/20 0.59
RAB9A P51151 1/20 0.55
KLK7 P49862 2/20 0.55
KLK5 Q9Y337 2/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ACE P12821 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
CDC25A P30304 1/20 0.47

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
SCHEMBL7330223 0.98 PPARA (0.71) PPARACTSSPPARGRENRAB9A
SCHEMBL27287363 0.89 PPARA (0.54) PPARACTSSPPARGRENRAB9A
SCHEMBL7324916 0.89 CTSS (0.68) PPARACTSSPPARGRENRAB9A
SCHEMBL24102984 0.89 CTSS (0.68) PPARACTSSPPARGRENRAB9A
SCHEMBL29556874 0.89 PPARA (0.75) PPARACTSSPPARGRENRAB9A
SCHEMBL29135753 0.89 PPARA (0.75) PPARACTSSPPARGRENRAB9A
SCHEMBL17051 0.86 PPARA (0.90) PPARACTSSPPARGRAB9AKLK7
SCHEMBL1132901 0.86 PPARA (0.90) PPARACTSSPPARGRAB9AKLK7
SCHEMBL828674 0.86 PPARA (0.90) PPARACTSSPPARGRAB9AKLK7
SCHEMBL29979082 0.85 PPARA (0.76) PPARACTSSPPARGRENRAB9A

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