SCHEMBL8255189

SCHEMBL8255189

CC(C)(C)[C@H](N)C(=O)N1C[C@H](OC(=O)N2CCc3ccccc3C2)C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
DPP8 Q6V1X1 5/20 0.41
HDAC8 Q9BY41 2/20 0.41
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 2/20 0.40
NOTUM Q6P988 1/20 0.39
ACE P12821 1/20 0.39
DPP9 Q86TI2 1/20 0.38
HPGD P15428 1/20 0.38
PRMT5 O14744 4/20 0.38
WDR77 Q9BQA1 4/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL8259154 0.91 ABHD6 (0.41) ABHD6DPP8HDAC8DPP4DPP7
SCHEMBL7856938 0.89 ABHD6 (0.43) ABHD6DPP8HDAC8NOTUMACE
SCHEMBL2100310 0.84 PRMT5 (0.48) ABHD6NOTUMPRMT5WDR77
SCHEMBL3739001 0.84 PRMT5 (0.48) ABHD6NOTUMPRMT5WDR77
SCHEMBL13223170 0.84 NOTUM (0.52) ABHD6HDAC8NOTUMHPGDPRMT5
SCHEMBL13223231 0.82 ELANE (0.44) PRMT5WDR77
SCHEMBL2608464 0.80 NOTUM (0.47) ABHD6NOTUMACEHPGDPRMT5
SCHEMBL7850122 0.80 ABHD6 (0.42) ABHD6DPP8NOTUMACEHPGD
SCHEMBL13788468 0.79 BIRC2 (0.36) ABHD6DPP8DPP4PRMT5WDR77
SCHEMBL7856943 0.79 CTSL (0.42)

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-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed