SCHEMBL30003626

SCHEMBL30003626

CCCCC(CC)COC(=O)Oc1c2ccccc2c(OC(=O)OCC(CC)CCCC)c2cc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ CA2 P00918 1/20 0.52
▸ LMNA P02545 3/20 0.48
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ MAPK1 P28482 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34

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
SCHEMBL20398699 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398655 0.96 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398508 0.96 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398568 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398567 0.91 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004044 0.91 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23271819 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30003423 0.89 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398705 0.88 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398694 0.88 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1

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
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