SCHEMBL8150145

SCHEMBL8150145

COC(=O)C1CC(O)CC1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM1 P11229 1/20 0.44
DGAT1 O75907 1/20 0.38
CHRM4 P08173 1/20 0.36
PDE4B Q07343 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8168520 1.00 CHRM2 (0.44) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL8175311 1.00 CHRM2 (0.44) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL15057584 1.00 CHRM2 (0.44) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL14347087 1.00 CHRM2 (0.44) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL24174680 0.91 CHRM2 (0.41) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL6160832 0.90 DGAT1 (0.41) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL6159675 0.90 DGAT1 (0.41) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL6159678 0.90 DGAT1 (0.41) CHRM2CHRM3CHRM1DGAT1CHRM4
SCHEMBL24174898 0.85 CHRM2 (0.44) CHRM2CHRM3CHRM4MAPK1CYP3A4
SCHEMBL2839537 0.85 CHRM2 (0.44) CHRM2CHRM3CHRM4MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013095275-A1 NOVEL HEPATITIS C VIRUS INHIBITORS MEDIVIR AB (SE) 2013-06-27 WO disclosed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
WO-2008119773-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed