SCHEMBL5493590

SCHEMBL5493590

CC(C)[C@H](N)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
PSMB5 P28074 1/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
FAP Q12884 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
SCHEMBL5493588 1.00 SLC7A5 (0.39) SLC7A5PSMB5DPP4DPP8DPP9
SCHEMBL5495068 0.83 CA1 (0.33) CA1CA2CA9
SCHEMBL5495073 0.83 CA1 (0.33) CA1CA2CA9
SCHEMBL29402310 0.81 DPP8 (0.45) DPP4DPP8DPP9DPP7
SCHEMBL19105340 0.78 SMN1; SMN2 (0.33)
SCHEMBL11915792 0.78 ELANE (0.42) CA1CA2CA9
SCHEMBL19105215 0.78 PKM (0.32) CA1CA2CA9
SCHEMBL19105406 0.77 SMN1; SMN2 (0.32)
SCHEMBL17278283 0.75 SLC7A5 (0.45) SLC7A5
SCHEMBL12831909 0.74 PKM (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858538-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE Biomarck Pharmaceuticals, Ltd. (US) 2007-11-28 EP disclosed
WO-2006078899-A2 MUCIN HYPERSECRETION INHIBITORS BASED ON THE STRUCTURE OF MANS AND METHODS OF USE BIOMARCK PHARMACEUTICALS, LTD. (US) 2006-07-27 WO disclosed