SCHEMBL30002579

SCHEMBL30002579

CCOC(=O)Oc1ccc(OC(=O)OCC)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.58
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CDC25B P30305 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.43
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42

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
SCHEMBL23271759 1.00 TYMS (0.58) TYMSTSHRLMNAL3MBTL1CDC25B
SCHEMBL4069381 0.86 ALDH1A1 (0.57) TYMSTSHRL3MBTL1CDC25BKDM4E
SCHEMBL8516383 0.86 TSHR (0.52) TYMSTSHRLMNAL3MBTL1KDM4E
SCHEMBL23271705 0.85 ALDH1A1 (0.50) TYMSTSHRLMNAL3MBTL1KDM4E
SCHEMBL10882295 0.85 TYMS (0.47) TYMSTSHRLMNAL3MBTL1KDM4E
SCHEMBL10889175 0.85 TYMS (0.47) TYMSTSHRLMNAL3MBTL1KDM4E
SCHEMBL28702860 0.84 TYMS (0.49) TYMSTSHRL3MBTL1CDC25BKDM4E
SCHEMBL10889170 0.84 TYMS (0.46) TYMSTSHRLMNAKDM4ECYP4F2
SCHEMBL170844 0.83 L3MBTL1 (0.49) TYMSTSHRLMNAL3MBTL1KDM4E
SCHEMBL3872104 0.83 TYMS (0.45) TYMSTSHRLMNAL3MBTL1CDC25B

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