SCHEMBL1683129

SCHEMBL1683129

CC(C)(C)OC(=O)NC1CCCCCC=CCCC(C(=O)O)NC(=O)C2CCC[N+]2C1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ BACE1 P56817 3/20 0.34
▸ BTK Q06187 1/20 0.33
▸ MME P08473 8/20 0.32
▸ ACE P12821 5/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1685577 0.89 GAA (0.34) GAABACE1KMT2A
SCHEMBL3814044 0.88 GAA (0.34) GAABACE1BTK
SCHEMBL3811327 0.83 GAA (0.33) GAA
SCHEMBL3373246 0.80 GAA (0.34) GAABACE1
SCHEMBL16242435 0.79 EPHX2 (0.33) BACE1BTK
SCHEMBL1655875 0.79 BIRC3 (0.38) GAA
SCHEMBL3059428 0.79 NAAA (0.33) —
SCHEMBL3805802 0.76 DDB1 (0.34) —
SCHEMBL3814397 0.73 GAA (0.31) GAA
SCHEMBL7398655 0.71 GAA (0.52) GAABACE1BTKKMT2AL3MBTL1

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-2305695-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
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