SCHEMBL30004137

SCHEMBL30004137

CCc1cc(OC(=O)OC)c2ccccc2c1OC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
SLC2A1 P11166 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
SSTR5 P35346 1/20 0.37
PKM P14618 1/20 0.36
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL23271918 1.00 HTT (0.44) HTTKDM4EHSD17B10HPGDCYP1A2
SCHEMBL30226675 0.88 THRB (0.41) HTTKDM4EHSD17B10HPGDCYP1A2
SCHEMBL30003359 0.87 HTT (0.41) HTTKDM4EHSD17B10HPGDLMNA
SCHEMBL23271841 0.87 HTT (0.41) HTTKDM4EHSD17B10HPGDLMNA
SCHEMBL23271828 0.87 HTT (0.47) HTTKDM4EHSD17B10LMNAL3MBTL1
SCHEMBL30003099 0.87 HTT (0.47) HTTKDM4EHSD17B10LMNAL3MBTL1
SCHEMBL23271886 0.84 HTT (0.41) HTTKDM4EHSD17B10LMNAGAA
SCHEMBL30002680 0.83 HTT (0.45) HTTKDM4EHSD17B10HPGDLMNA
SCHEMBL23271843 0.83 HTT (0.45) HTTKDM4EHSD17B10HPGDLMNA
SCHEMBL20398668 0.83 HSD17B10 (0.46) HTTKDM4EHSD17B10HPGDCYP1A2

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed