SCHEMBL16693228

SCHEMBL16693228

C=C(C)C(=O)OCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD2 P14416 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MAPK14 Q16539 1/20 0.43
ADAMTS4 O75173 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
NAMPT P43490 2/20 0.41
PSMB8 P28062 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL16693229 0.87 CYP17A1 (0.52) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL7955791 0.81 CYP17A1 (0.57) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4143456 0.81 CYP17A1 (0.51) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16693282 0.81 MEN1 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL16693251 0.81 CYP17A1 (0.49) CYP17A1SMN1; SMN2DRD2NAMPTPSMB8
SCHEMBL16693226 0.81 CYP17A1 (0.49) CYP17A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9099162 0.80 CYP17A1 (0.52) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL6195004 0.79 CYP17A1 (0.61) CYP17A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8834653 0.79 LIPE (0.48) CYP17A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7043026 0.79 POLB (0.62) CYP17A1MEN1KMT2ASMN1; 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