SCHEMBL28520501

SCHEMBL28520501

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.77
RARB P10826 5/20 0.72
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
PLA2G4B P0C869 4/20 0.54
PKM P14618 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
HTT P42858 1/20 0.51
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FDPS P14324 1/20 0.49
THRB P10828 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PLA2G4A P47712 1/20 0.49

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
SCHEMBL10785289 1.00 MAPK1 (0.77) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL15449670 1.00 MAPK1 (0.77) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL8846867 0.93 MAPK1 (0.68) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL8080211 0.92 MAPK1 (0.73) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL23927025 0.90 MAPK1 (0.60) MAPK1RARBTSHRNR1H4HTT
SCHEMBL6539739 0.89 MAPK1 (0.84) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL7278712 0.88 RARB (0.60) MAPK1RARBTSHRTP53NR1H4
SCHEMBL6538723 0.88 MAPK1 (1.00) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL14403090 0.87 MAPK1 (0.66) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL15301501 0.87 MAPK1 (0.57) MAPK1RARBTSHRNR1H4HTT

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