SCHEMBL18828016

SCHEMBL18828016

COC(=O)C1([C@H](C)O)CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
CXCR5 P32302 1/20 0.32

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
SCHEMBL16837891 1.00 LMNA (0.37) LMNANPSR1CXCR5
SCHEMBL11375499 0.80 NPSR1 (0.44) LMNANPSR1
SCHEMBL21536751 0.79 LMNA (0.36) LMNANPSR1
SCHEMBL28176535 0.76 NPSR1 (0.36) NPSR1
SCHEMBL16837892 0.76 NPSR1 (0.36) LMNANPSR1
SCHEMBL20068373 0.75 LMNA (0.41) LMNANPSR1
SCHEMBL9009602 0.73 LMNA (0.42) LMNANPSR1
SCHEMBL16104372 0.72 NPSR1 (0.41) LMNANPSR1
SCHEMBL15537624 0.71 MEN1 (0.33) LMNANPSR1
SCHEMBL5515153 0.70 NPSR1 (0.40) LMNANPSR1

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-9642889-B2 Macrocyclic inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2017-05-09 US disclosed