SCHEMBL9831090

SCHEMBL9831090

C=CCCC[C@@H]1C[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
REN P00797 3/20 0.40
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ACE P12821 1/20 0.38
AKT1 P31749 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
APP P05067 1/20 0.37
SCN9A Q15858 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9473183 1.00 ATM (0.40) ATMRENCTSSCTSLCTSB
SCHEMBL7401901 0.89 ATM (0.43) ATMCTSSCTSLCTSBCTSK
SCHEMBL8270813 0.89 ATM (0.43) ATMCTSSCTSLCTSBCTSK
SCHEMBL7397628 0.87 ATM (0.44) ATMCTSSCTSLCTSBCTSK
SCHEMBL7419151 0.86 ATM (0.41) ATMRENCTSSCTSLCTSB
SCHEMBL8270815 0.86 ATM (0.43) ATMCTSSCTSLCTSBCTSK
SCHEMBL6836252 0.86 ATM (0.43) ATMCTSSCTSLCTSBCTSK
SCHEMBL7584316 0.85 ATM (0.43) ATMRENCTSSCTSLCTSB
SCHEMBL7432732 0.85 ATM (0.46) ATMCTSSCTSLCTSBCTSK
SCHEMBL6312228 0.85 ATM (0.46) ATMCTSSCTSLCTSBCTSK

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
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed