SCHEMBL28520440

SCHEMBL28520440

COC(=O)c1ccc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALOX5 P09917 1/20 0.43
RARB P10826 1/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.41
FDPS P14324 2/20 0.41
EGFR P00533 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GSTO1 P78417 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GGPS1 O95749 1/20 0.39
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL15301966 0.88 MAPK1 (0.52) MAPK1ALOX5RARBEPHX2FDPS
SCHEMBL27522253 0.84 NR1H4 (0.39) MAPK1ALOX5MAPTFDPSTDP1
SCHEMBL29974918 0.83 MAPT (0.62) MAPK1ALOX5RARBEPHX2MAPT
SCHEMBL27491939 0.82 RARB (0.48) MAPK1ALOX5RARBEPHX2MAPT
SCHEMBL13164008 0.80 THRB (0.56) MAPTTHRATHRBTDP1L3MBTL1
SCHEMBL6858906 0.80 NR1H4 (0.39) MAPK1ALOX5RARBMAPTFDPS
SCHEMBL13162396 0.79 EPHX2 (0.51) MAPK1EPHX2MAPTTHRBTDP1
SCHEMBL27436825 0.78 L3MBTL1 (0.43) ALOX5MAPTEGFRTDP1L3MBTL1
SCHEMBL30966100 0.78 MAPT (0.49) MAPTTHRATHRBTDP1L3MBTL1
SCHEMBL30966087 0.78 MAPT (0.49) MAPTTHRATHRBTDP1L3MBTL1

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
CN-106977567-B Oligonucleotide with protected base moiety 味之素株式会社 2021-02-02 CN disclosed