SCHEMBL19879846

SCHEMBL19879846

CC1(C)Cc2c(sc(NC(O)C(C)(O)C(C)(C)C)c2C(N)=O)C(C)(C)O1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.66

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
SCHEMBL20468140 0.92 CFTR (0.64) CFTR
SCHEMBL16446349 0.80 CFTR (0.83) CFTR
SCHEMBL20468265 0.80 CFTR (0.65) CFTR
SCHEMBL16445424 0.80 CFTR (1.00) CFTR
SCHEMBL16445643 0.79 CFTR (1.00) CFTR
SCHEMBL16445617 0.79 CFTR (1.00) CFTR
SCHEMBL16445683 0.79 CFTR (1.00) CFTR
SCHEMBL16445578 0.79 CFTR (1.00) CFTR
SCHEMBL20454218 0.79 CFTR (0.70) CFTR
SCHEMBL18732934 0.79 CFTR (0.70) CFTR

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
US-9895347-B2 Compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis GALAPAGOS NV (BE) 2018-02-20 — — US disclosed
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