SCHEMBL16693288

SCHEMBL16693288

C=CC(=O)OCCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
DRD2 P14416 1/20 0.47
NAMPT P43490 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAPK14 Q16539 1/20 0.42
GLS O94925 1/20 0.41
THRB P10828 3/20 0.41
THRA P10827 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
PSMB8 P28062 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL4143456 0.87 CYP17A1 (0.51) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL16693231 0.86 RAB9A (0.47) CYP17A1NAMPTTHRB
SCHEMBL16693229 0.82 CYP17A1 (0.52) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL16693255 0.81 CD274 (0.52) CYP17A1NAMPTHDAC3HDAC8
SCHEMBL27493682 0.81 CYP17A1 (0.58) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL23422448 0.80 THRB (0.56) THRBTHRA
SCHEMBL15359140 0.80 NAMPT (0.53) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL24788139 0.79 THRB (0.46) THRBTHRA
SCHEMBL23463468 0.79 RAB9A (0.48) THRBTHRA
SCHEMBL9806249 0.78 TSHR (0.59) THRB

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
WO-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed