SCHEMBL20055413

SCHEMBL20055413

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)CCc1cc(C(=O)COC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.42
NPC1 O15118 1/20 0.39
UCHL1 P09936 5/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
KLK7 P49862 1/20 0.36
ROCK2 O75116 1/20 0.36
EPHX2 P34913 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL16001579 1.00 PREP (0.42) PREPNPC1UCHL1LMNANPSR1
SCHEMBL2709941 1.00 PREP (0.42) PREPNPC1UCHL1LMNANPSR1
SCHEMBL204525 1.00 PREP (0.42) PREPNPC1UCHL1LMNANPSR1
SCHEMBL2708422 0.94 PREP (0.41) PREPNPC1UCHL1LMNANPSR1
SCHEMBL18462482 0.94 PREP (0.41) PREPNPC1UCHL1LMNANPSR1
SCHEMBL202883 0.94 PREP (0.41) PREPNPC1UCHL1LMNANPSR1
SCHEMBL204088 0.87 MEN1 (0.42) PREPNPC1UCHL1LMNANPSR1
SCHEMBL9932688 0.87 PREP (0.42) PREPNPC1UCHL1LMNANPSR1
SCHEMBL2706740 0.87 MEN1 (0.42) PREPNPC1UCHL1LMNANPSR1
SCHEMBL14982349 0.87 PREP (0.42) PREPNPC1UCHL1LMNANPSR1

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
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed