SCHEMBL29892147

SCHEMBL29892147

CCCOCCc1c(C(N)=O)c2c(C(N)=O)ccc3c4ccc(C(=O)O)c5c(C(=O)O)ccc(c(c1CCOCCC)c23)c54

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL28604161 0.85 PPARA (0.37) —
SCHEMBL27961894 0.84 PPARA (0.39) —
SCHEMBL31285691 0.79 RAD52 (0.34) CYP1A2
SCHEMBL27631339 0.77 PPARA (0.41) CYP1A2
SCHEMBL28370008 0.76 PPARA (0.38) —
SCHEMBL3175544 0.76 PPARA (0.43) —
SCHEMBL28135172 0.76 PPARA (0.43) —
SCHEMBL28135171 0.76 PPARA (0.43) —
SCHEMBL28184233 0.74 PPARA (0.38) —
SCHEMBL28718557 0.72 CYP1A2 (0.40) CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115020587-A Multilayer composite contact electrode and preparation method and application thereof 吉林大学 2022-09-06 — — CN claimed
CN-115020587-A Multilayer composite contact electrode and preparation method and application thereof 吉林大学 2022-09-06 — — CN disclosed
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