SCHEMBL7327138

SCHEMBL7327138

CCC(O)CC(O)C(CC1CCCCC1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.47
CTSE P14091 7/20 0.45
CTSD P07339 6/20 0.45
PGA5 P0DJD9 4/20 0.45
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PGC P20142 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7327167 0.82 REN (0.50) RENCTSECTSD
SCHEMBL3347419 0.80 PSEN1 (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL967760 0.80 GRN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL970762 0.80 GRN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL969137 0.80 GRN (0.40) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL968972 0.79 CYP2D6 (0.42) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7312864 0.79 PSEN1 (0.38) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL968973 0.79 CYP2D6 (0.42) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL3382250 0.79 PSEN1 (0.37) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL1862727 0.79 LTA4H (0.43) RENPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198426-A RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1993-03-30 US disclosed
EP-0380805-A1 Renin inhibitors containing C-terminal dihydroxy amides WARNER-LAMBERT COMPANY (US) 1990-08-08 EP disclosed
WO-1990007521-A1 RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1990-07-12 WO disclosed