SCHEMBL24326170

SCHEMBL24326170

CCN(CC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.53
▸ PSEN1 P49768 7/20 0.50
▸ PSEN2 P49810 7/20 0.50
▸ APH1B Q8WW43 7/20 0.50
▸ NCSTN Q92542 7/20 0.50
▸ APH1A Q96BI3 7/20 0.50
▸ PSENEN Q9NZ42 7/20 0.50
▸ APP P05067 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ AKT1 P31749 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CTSK P43235 3/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ PPARA Q07869 2/20 0.45
▸ PPARG P37231 1/20 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
SCHEMBL24325756 0.92 REN (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24326677 0.92 REN (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24325748 0.92 REN (0.54) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24325789 0.91 REN (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24326156 0.91 REN (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24325757 0.90 REN (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24326341 0.90 REN (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24326674 0.89 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL24326226 0.89 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL19520884 0.81 PPARA (0.55) APPACEAKT1CTSKCTSS

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
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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