SCHEMBL9849779

SCHEMBL9849779

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(C)C)[C@H](O)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
REN P00797 5/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
AAK1 Q2M2I8 1/20 0.42
PTPRB P23467 1/20 0.42
BACE1 P56817 3/20 0.42
CTSD P07339 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
CAPN1 P07384 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41

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
SCHEMBL9849789 1.00 GAA (0.47) GAAL3MBTL1RENCTSLCTSB
SCHEMBL7295320 0.91 CA1 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL7295314 0.91 CA1 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL9725752 0.91 CA1 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL9725745 0.91 CA1 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL7309940 0.91 CA1 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL9741250 0.90 BACE1 (0.45) GAAL3MBTL1RENCTSLCTSB
SCHEMBL9741242 0.90 BACE1 (0.45) GAAL3MBTL1RENCTSLCTSB
SCHEMBL9741069 0.87 REN (0.47) GAAL3MBTL1RENCTSSCTSK
SCHEMBL9741074 0.87 REN (0.47) GAAL3MBTL1RENCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed