SCHEMBL16693229

SCHEMBL16693229

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.52
DRD2 P14416 1/20 0.47
NAMPT P43490 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAPK14 Q16539 1/20 0.42
GLS O94925 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
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F10 P00742 2/20 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
SCHEMBL16693228 0.87 CYP17A1 (0.51) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL16693226 0.86 CYP17A1 (0.49) CYP17A1NAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL16693251 0.86 CYP17A1 (0.49) CYP17A1DRD2NAMPTPSMB8SMN1; SMN2
SCHEMBL1979087 0.82 RXFP1 (0.49) L3MBTL1
SCHEMBL16693288 0.82 CYP17A1 (0.49) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL16693293 0.81 PKM (0.52) CYP17A1NAMPTHDAC3HDAC8SMN1; SMN2
SCHEMBL27493682 0.81 CYP17A1 (0.58) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL15359144 0.81 NAMPT (0.54) CYP17A1DRD2NAMPTPTGDR2MAPK14
SCHEMBL11921516 0.80 THRB (0.55) SMN1; SMN2L3MBTL1
SCHEMBL13872034 0.80 TSHR (0.48) CYP17A1SMN1; SMN2L3MBTL1

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