SCHEMBL7270342

SCHEMBL7270342

CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1ccc(C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
REN P00797 3/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BACE1 P56817 4/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL7270337 1.00 CA1 (0.43) CA1CA2CA7PSEN1PSEN2
SCHEMBL7270348 1.00 CA1 (0.43) CA1CA2CA7PSEN1PSEN2
SCHEMBL9725826 0.86 PSEN1 (0.41) CA1CA2CA7PSEN1PSEN2
SCHEMBL9725819 0.86 PSEN1 (0.41) CA1CA2CA7PSEN1PSEN2
SCHEMBL7275095 0.81 CTSK (0.50) CTSLCTSBCTSSCTSKREN
SCHEMBL7275090 0.81 CTSK (0.50) CTSLCTSBCTSSCTSKREN
SCHEMBL7275098 0.81 CTSK (0.50) CTSLCTSBCTSSCTSKREN
SCHEMBL7268440 0.79 REN (0.49) CA1CA2CA7PSEN1PSEN2
SCHEMBL7268445 0.79 REN (0.49) CA1CA2CA7PSEN1PSEN2
SCHEMBL7268437 0.79 REN (0.49) CA1CA2CA7PSEN1PSEN2

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-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed