SCHEMBL16356396

SCHEMBL16356396

CC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
HDAC8 Q9BY41 4/20 0.51
DPP8 Q6V1X1 6/20 0.50
DPP7 Q9UHL4 6/20 0.50
DPP9 Q86TI2 5/20 0.50
DPP4 P27487 3/20 0.50
ADAM17 P78536 1/20 0.48
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NAMPT P43490 2/20 0.44
ACE P12821 2/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL8223288 0.84 HDAC8 (0.53) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL8274476 0.82 DPP8 (0.53) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL8273371 0.81 ADAM17 (0.54) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL16356986 0.79 NOTUM (0.50) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL8206656 0.77 NAMPT (0.65) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL12214006 0.75 ADAM17 (0.57) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL8219604 0.75 ADAM17 (0.48) NOTUMDPP8DPP7DPP9DPP4
SCHEMBL1197829 0.74 NOTUM (1.00) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL4775055 0.74 DPP7 (0.66) NOTUMHDAC8DPP8DPP7DPP9
SCHEMBL4775064 0.74 DPP7 (0.66) NOTUMHDAC8DPP8DPP7DPP9

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-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed