SCHEMBL30479062

SCHEMBL30479062

COC(=O)C1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)C(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
JAK3 P52333 1/20 0.34
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
CNR1 P21554 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
PRMT5 O14744 1/20 0.33
NPY2R P49146 1/20 0.33
NEK2 P51955 1/20 0.33

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
SCHEMBL25031490 1.00 GRM5 (0.37) GRM5FFAR4ALDH1A1MAPTHPGD
SCHEMBL29013187 0.93 GRM5 (0.38) GRM5FFAR4HRH3JAK3BRD4
SCHEMBL25935316 0.92 FFAR4 (0.38) FFAR4ALDH1A1MAPTHPGDNPSR1
SCHEMBL30479060 0.85 FFAR4 (0.37) GRM5FFAR4HRH3FEN1
SCHEMBL25939398 0.85 FFAR4 (0.37) GRM5FFAR4HRH3FEN1
SCHEMBL25938922 0.82 LTA4H (0.41) GRM5FFAR4CNR1PTGDR2PRMT5
SCHEMBL30136082 0.82 LTA4H (0.41) GRM5FFAR4CNR1PTGDR2PRMT5
SCHEMBL31018330 0.81 FFAR4 (0.38) GRM5FFAR4ALDH1A1MAPTCNR1
SCHEMBL25034787 0.81 FFAR4 (0.40) GRM5FFAR4CNR1NPY2R
SCHEMBL30135909 0.81 FFAR4 (0.40) GRM5FFAR4CNR1NPY2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 CN disclosed