SCHEMBL28520532

SCHEMBL28520532

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCOc1ccc(C(O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.49
LTA4H P09960 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.46
FDPS P14324 2/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
RARB P10826 1/20 0.44
HPGD P15428 2/20 0.42
GGPS1 O95749 1/20 0.42
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 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
SCHEMBL7536898 0.85 KCNA3 (0.52) LTA4HTDP1ALOX5MAPK1FDPS
SCHEMBL4762110 0.85 KCNA3 (0.52) LTA4HTDP1ALOX5MAPK1FDPS
SCHEMBL16340342 0.83 TDP1 (0.58) TDP1ALOX5MAPK1FDPSGAA
SCHEMBL6857008 0.83 TDP1 (0.58) TDP1ALOX5MAPK1FDPSGAA
SCHEMBL22282461 0.83 TDP1 (0.41) GPR88LTA4HTDP1ALOX5MAPK1
SCHEMBL19549594 0.80 TDP1 (0.51) GPR88TDP1ALOX5MAPK1FDPS
SCHEMBL2050248 0.79 ALOX5 (0.55) LTA4HTDP1ALOX5MAPK1FDPS
SCHEMBL14366325 0.78 LTA4H (0.62) LTA4HALDH1A1
SCHEMBL28519833 0.78 MEN1 (0.40) MAPK1
SCHEMBL7526858 0.78 ALOX5 (0.45) GPR88TDP1ALOX5MAPK1FDPS

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