Sugi Predict

Sugi Predict / Compounds / SCHEMBL10825159

SCHEMBL10825159

SCHEMBL10825159

CC(C)C[C@H](NCC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.49
▸ PSEN1 P49768 4/20 0.44
▸ PSEN2 P49810 4/20 0.44
▸ APH1B Q8WW43 4/20 0.44
▸ NCSTN Q92542 4/20 0.44
▸ APH1A Q96BI3 4/20 0.44
▸ PSENEN Q9NZ42 4/20 0.44
▸ BACE1 P56817 9/20 0.44

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
SCHEMBL10825178 1.00 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825155 1.00 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825108 0.94 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825102 0.94 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825253 0.94 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10727422 0.88 REN (0.48) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825119 0.88 REN (0.58) REN
SCHEMBL10825161 0.87 BACE1 (0.41) RENBACE1
SCHEMBL10825121 0.87 BACE1 (0.41) RENBACE1
SCHEMBL10825117 0.87 BACE1 (0.41) RENBACE1

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-4629724-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1986-12-16 — — US claimed
US-4629724-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1986-12-16 — — US disclosed
Send feedback