SCHEMBL28379897

SCHEMBL28379897

CCCCC(CC)COC(=O)Oc1cccc2cc3ccccc3cc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 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
▸ TDP1 Q9NUW8 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ELANE P08246 2/20 0.38
▸ RECQL P46063 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL28381116 0.90 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29080843 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004014 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23271975 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL23271684 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30003256 0.84 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28902657 0.82 L3MBTL1 (0.43) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL3414896 0.82 CA2 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
Anthracene SCHEMBL28584681 0.82 CA2 (0.44) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28383712 0.82 ELANE (0.55) ALDH1A1CYP3A4LMNAMAPK1TSHR

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 5 patents. 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
CN-112582547-A Organic solar cell 日本瑞翁株式会社 2021-03-30 — — CN disclosed
CN-108884377-B Photocurable sealing agent composition, article, and organic solar cell 日本瑞翁株式会社 2021-03-19 — — CN disclosed
CN-108026197-B Photopolymerizable composition 川崎化成工业株式会社 2020-11-17 — — CN disclosed
CN-110891980-A Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2020-03-17 — — CN disclosed
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