SCHEMBL7330614

SCHEMBL7330614

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.54
ATM Q13315 1/20 0.53
ACE P12821 1/20 0.52
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
ALDH1A1 P00352 2/20 0.47
APP P05067 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7324107 1.00 REN (0.54) RENATMACECTSSCTSK
SCHEMBL12137049 0.91 ATM (0.61) RENATMACECTSSCTSK
SCHEMBL2736190 0.91 ATM (0.61) RENATMACECTSSCTSK
SCHEMBL10378293 0.90 REN (0.53) RENATMACECTSSCTSK
SCHEMBL10378294 0.90 REN (0.53) RENATMACECTSSCTSK
SCHEMBL10378295 0.90 REN (0.53) RENATMACECTSSCTSK
SCHEMBL10378297 0.89 REN (0.49) RENATMACECTSSCTSK
SCHEMBL13286607 0.89 ATM (0.54) RENATMACECTSSCTSK
SCHEMBL6447409 0.89 ATM (0.54) RENATMACECTSSCTSK
SCHEMBL8030523 0.89 ATM (0.54) RENATMACECTSSCTSK

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
US-5114937-A Renin inhibiting nonpeptides WARNER-LAMBERT COMPANY (US) 1992-05-19 US disclosed
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
US-4743585-A PEPTIDES, HYPOTENSIVE AGENTS, HYPERALDOSTERONISM WARNER-LAMBERT COMPANY (US) 1988-05-10 US disclosed