SCHEMBL7323810

SCHEMBL7323810

CC(C)(C)OC(=O)N[C@H](/C=C/[C@@H](Cc1ccccc1)C(=O)O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.56
ATM Q13315 2/20 0.54
CTSK P43235 3/20 0.52
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARA Q07869 3/20 0.51
PPARG P37231 2/20 0.51
APP P05067 1/20 0.50
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL9659207 1.00 ACE (0.56) ACEATMCTSKCTSSCTSL
SCHEMBL7323815 1.00 ACE (0.56) ACEATMCTSKCTSSCTSL
SCHEMBL9659216 1.00 ACE (0.56) ACEATMCTSKCTSSCTSL
SCHEMBL12137049 0.92 ATM (0.61) ACEATMCTSKCTSSCTSL
SCHEMBL2736190 0.92 ATM (0.61) ACEATMCTSKCTSSCTSL
SCHEMBL22026802 0.90 ACE (0.52) ACEATMCTSKCTSSCTSL
SCHEMBL13323707 0.90 ACE (0.52) ACEATMCTSKCTSSCTSL
SCHEMBL23156370 0.87 ATM (0.56) ACEATMCTSKCTSSCTSL
SCHEMBL4275633 0.86 ATM (0.55) ACEATMCTSKCTSSCTSL
SCHEMBL5414321 0.86 ATM (0.55) ACEATMCTSKCTSSCTSL

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