SCHEMBL5265332

SCHEMBL5265332

CC(C)CCc1cccc2[nH]c(=O)oc(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
CFD P00746 1/20 0.41
HCAR2 Q8TDS4 4/20 0.40
HCAR3 P49019 1/20 0.40
HTR2A P28223 1/20 0.39
OGT O15294 1/20 0.37
GPR35 Q9HC97 1/20 0.36
SORT1 Q99523 1/20 0.36
ELANE P08246 4/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5866577 0.84 ELANE (0.47) F2CFDHCAR2OGTELANE
SCHEMBL4509421 0.82 F2 (0.49) F2CFDOGTELANE
SCHEMBL10771946 0.81 F2 (0.42) F2CFDHCAR2HCAR3OGT
SCHEMBL10343102 0.80 F2 (0.50) F2CFDOGTELANE
SCHEMBL6208387 0.78 HCAR2 (0.44) F2CFDHCAR2HCAR3SORT1
SCHEMBL19628844 0.77 F2 (0.47) F2CFDOGTELANE
SCHEMBL5265337 0.77 F2 (0.41) F2CFDHCAR2HCAR3SORT1
SCHEMBL4502047 0.74 F2 (0.47) F2CFDHCAR2OGTELANE
SCHEMBL28766918 0.74 HCAR2 (0.43) F2CFDHCAR2HCAR3OGT
SCHEMBL15823883 0.74 CYP1A2 (0.52) F2CFDOGTELANEKDM4E

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-1786807-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-23 EP disclosed
WO-2006021340-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-03-02 WO disclosed