SCHEMBL7433466

SCHEMBL7433466

CC(C)CC(NC(=O)OC(C)(C)C)C(O)CSc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.48
REN P00797 3/20 0.48
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.46
KLK5 Q9Y337 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45

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
SCHEMBL6577028 0.90 KLK5 (0.47) KLK5MTNR1AMTNR1B
SCHEMBL7446899 0.88 AAK1 (0.46) BACE1RENMEN1KMT2A
SCHEMBL10724182 0.88 CTSB (0.45) BACE1RENPSEN1PSEN2APH1B
SCHEMBL7437679 0.85 PPARG (0.58) BACE1RENPSEN1PSEN2APH1B
SCHEMBL6579018 0.82 KLK5 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6574905 0.82 KLK5 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6576260 0.82 KLK5 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15866036 0.81 PPARA (0.48) MEN1KMT2ANPSR1APPKLK5
SCHEMBL9404273 0.81 MTNR1A (0.64) MEN1KMT2ANPSR1MTNR1AMTNR1B
SCHEMBL8910228 0.81 MTNR1A (0.64) MEN1KMT2ANPSR1MTNR1AMTNR1B

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-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed