SCHEMBL7437679

SCHEMBL7437679

CC(C)CC(NC(=O)OC(C)(C)C)C(O)CSCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.58
PPARA Q07869 3/20 0.58
PPARD Q03181 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
BACE1 P56817 9/20 0.52
REN P00797 3/20 0.52
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
APP P05067 1/20 0.49
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL7437488 0.88 PSEN1 (0.49) BACE1RENPSEN1PSEN2APH1B
SCHEMBL7433466 0.85 BACE1 (0.48) MEN1KMT2ANPSR1BACE1REN
SCHEMBL9697661 0.83 CTSS (0.54) BACE1RENPSEN1PSEN2APH1B
SCHEMBL22457536 0.81 PPARA (0.67) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL10722632 0.80 REN (0.59) BACE1RENKLK5
SCHEMBL10659588 0.80 REN (0.59) BACE1RENKLK5
SCHEMBL7437492 0.79 REN (0.49) BACE1RENPSEN1PSEN2APH1B
SCHEMBL10664376 0.79 PSEN1 (0.59) BACE1RENPSEN1PSEN2APH1B
SCHEMBL7429081 0.79 REN (0.49) BACE1RENPSEN1PSEN2APH1B
SCHEMBL5709671 0.79 PSEN1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed