SCHEMBL16242435

SCHEMBL16242435

CC(C)(C)OC(=O)NC1CCCCCC=CCCC(C(=O)O)NC(=O)C2CC(Oc3ccccn3)C[N+]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.33
▸ BTK Q06187 1/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ TNKS O95271 2/20 0.31
▸ PARP2 Q9UGN5 2/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ AVPR1A P37288 2/20 0.30
▸ REN P00797 1/20 0.30

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
SCHEMBL3811327 0.85 GAA (0.33) —
SCHEMBL3814044 0.83 GAA (0.34) BTKBACE1REN
SCHEMBL3059428 0.82 NAAA (0.33) EPHX2
SCHEMBL1683129 0.79 GAA (0.36) BTKBACE1
SCHEMBL3805802 0.78 DDB1 (0.34) —
SCHEMBL3814397 0.77 GAA (0.31) —
SCHEMBL3373246 0.76 GAA (0.34) BACE1
SCHEMBL3809696 0.75 — —
SCHEMBL3369229 0.72 DDB1 (0.34) —
SCHEMBL6155030 0.72 POLB (0.36) —

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-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
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