SCHEMBL28124148

SCHEMBL28124148

CC(C)(C)OC(=O)N1CCCC1c1ncc(C2CCCCN2C(=O)OCc2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
KLK7 P49862 1/20 0.45
PREP P48147 2/20 0.45
PRMT5 O14744 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRCP P42785 2/20 0.44
PARP1 P09874 1/20 0.43
AADAT Q8N5Z0 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
SCHEMBL2708081 0.89 HPGDS (0.48) KLK7PRMT5L3MBTL1PARP1
SCHEMBL204659 0.89 HPGDS (0.48) KLK7PRMT5L3MBTL1PARP1
SCHEMBL10076571 0.86 PRCP (0.59) PRCP
SCHEMBL691477 0.83 HPGDS (0.61) PRCP
SCHEMBL691476 0.83 HPGDS (0.61) PRCP
SCHEMBL10254627 0.83 PRCP (0.53) PRCP
SCHEMBL13501764 0.83 HPGDS (0.61) PRCP
SCHEMBL12599425 0.82 PRCP (0.53) PRCP
SCHEMBL6126817 0.81 PRCP (0.55) PRCP
SCHEMBL7604141 0.81 PRCP (0.55) PRCP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211689-B Antiviral compounds 吉利德制药有限责任公司 2017-01-18 CN disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 CN disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed