SCHEMBL27854990

SCHEMBL27854990

CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.54
NR1H3 Q13133 2/20 0.54
DAGLA Q9Y4D2 4/20 0.52
KLK7 P49862 1/20 0.51
ABHD6 Q9BV23 3/20 0.49
SCD5 Q86SK9 1/20 0.49
OPRD1 P41143 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
HSD11B1 P28845 1/20 0.47
DPP4 P27487 1/20 0.47
KDM1A O60341 1/20 0.47
ACE P12821 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
STS P08842 1/20 0.46

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
SCHEMBL698422 1.00 NR1H2 (0.54) NR1H2NR1H3DAGLAKLK7ABHD6
SCHEMBL698218 1.00 NR1H2 (0.54) NR1H2NR1H3DAGLAKLK7ABHD6
SCHEMBL28334140 0.92 NR1H2 (0.56) NR1H2NR1H3DAGLAKLK7DPP4
SCHEMBL28334137 0.92 NR1H2 (0.56) NR1H2NR1H3DAGLAKLK7DPP4
SCHEMBL8924617 0.90 DAGLA (0.51) NR1H2NR1H3DAGLAABHD6HSD11B1
SCHEMBL10132334 0.88 NPSR1 (0.50) NR1H2NR1H3OPRD1DPP4MEN1
SCHEMBL23478097 0.87 CCR3 (0.47) NR1H2NR1H3DAGLAABHD6
SCHEMBL10132250 0.87 CCR3 (0.47) NR1H2NR1H3DAGLAABHD6
SCHEMBL10132293 0.87 ALDH1A1 (0.51) NR1H2NR1H3OPRD1MEN1KMT2A
SCHEMBL1992473 0.87 FPR3 (0.52) NR1H2NR1H3OPRD1KDM1AMEN1

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
CN-102427731-A Hepatitis c virus inhibitors ENANTA PHARM INC 2012-04-25 CN disclosed