Sugi Predict

Sugi Predict / Compounds / SCHEMBL10825108

SCHEMBL10825108

SCHEMBL10825108

CC(C)C[C@H](NCC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.57
▸ PSEN1 P49768 2/20 0.52
▸ PSEN2 P49810 2/20 0.52
▸ APH1B Q8WW43 2/20 0.52
▸ NCSTN Q92542 2/20 0.52
▸ APH1A Q96BI3 2/20 0.52
▸ PSENEN Q9NZ42 2/20 0.52

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
SCHEMBL10825102 1.00 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825253 1.00 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825119 0.94 REN (0.58) REN
SCHEMBL10825159 0.94 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825155 0.94 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10825178 0.94 REN (0.49) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10725717 0.91 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10725721 0.91 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10869206 0.91 REN (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10659915 0.87 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-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
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