SCHEMBL6219871

SCHEMBL6219871

O=C1CC(=O)OC(CCc2ccc(-c3ccccc3)cc2)(C2CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.38
FFAR1 O14842 1/20 0.35
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP12 P39900 1/20 0.33
DRD2 P14416 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL5880848 0.93 GAA (0.34) ALDH1A1SIGMAR1
SCHEMBL3993982 0.90 RAB9A (0.38) MEN1ALDH1A1KMT2A
SCHEMBL3988758 0.86 CTSC (0.41) MMP12
SCHEMBL5880733 0.85 RAB9A (0.33) NAAA
SCHEMBL5880732 0.85 RAB9A (0.33) NAAA
SCHEMBL13964063 0.85 RAB9A (0.33) NAAAALDH1A1DRD2SIGMAR1
SCHEMBL13963704 0.85 RAB9A (0.33) MEN1ALDH1A1KMT2A
SCHEMBL3986713 0.85 GAA (0.33)
SCHEMBL3993794 0.85 CDK2 (0.34)
SCHEMBL5880858 0.84 RAB9A (0.35) NAAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed