SCHEMBL8237792

SCHEMBL8237792

CCOC(=O)[C@@]12C[C@H]1/C=C\COCCCCC(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 15/20 0.38
▸ PSMB8 P28062 5/20 0.37
▸ PSMB5 P28074 1/20 0.35
▸ CHEK1 O14757 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PPIA P62937 1/20 0.31

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
SCHEMBL8247064 0.86 DPP4 (0.34) GAAALOX15HSD17B10
SCHEMBL8237366 0.79 DPP4 (0.31) GAAALOX15HSD17B10PPIA
SCHEMBL13830431 0.78 GAA (0.32) CHEK1PARP1MAP2K1GAAALOX15
SCHEMBL8247123 0.78 DPP4 (0.33) GAAALOX15HSD17B10
SCHEMBL15593591 0.76 AKR1C3 (0.32) —
SCHEMBL8171994 0.76 — —
SCHEMBL11975940 0.76 HDAC4 (0.33) CHEK1PARP1MAP2K1GAAALOX15
SCHEMBL8249373 0.75 DPP4 (0.37) GAAALOX15HSD17B10
SCHEMBL8247433 0.75 — —
SCHEMBL8185437 0.74 ADRB3 (0.31) —

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-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — WO disclosed
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