SCHEMBL30003099

SCHEMBL30003099

CCOC(=O)Oc1cc(CC)c(OC(=O)OCC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TYMS P04818 1/20 0.43
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL23271828 1.00 HTT (0.47) HTTTYMSCYP4F2CYP4A11CASP3
SCHEMBL23271886 0.89 HTT (0.41) HTTMAPTGAALMNAKDM4E
SCHEMBL30004064 0.87 HTT (0.63) HTTTYMSCYP4F2CYP4A11CASP3
SCHEMBL23271882 0.87 HTT (0.63) HTTTYMSCYP4F2CYP4A11CASP3
SCHEMBL23271918 0.87 HTT (0.44) HTTMAPTGAALMNAL3MBTL1
SCHEMBL30004137 0.87 HTT (0.44) HTTMAPTGAALMNAL3MBTL1
SCHEMBL23271994 0.86 ELANE (0.48) HTTMAPTLMNAL3MBTL1TSHR
SCHEMBL23271695 0.85 TSHR (0.44) HTTLMNAL3MBTL1TSHRKDM4E
SCHEMBL23271688 0.84 ELANE (0.46) MAPTLMNATSHRKDM4ETP53
SCHEMBL23271929 0.84 ELANE (0.46) MAPTLMNATSHRKDM4ETP53

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