SCHEMBL28824891

SCHEMBL28824891

C=C(C)CCc1cc(CCC(=C)C)cc(C(=O)Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLRA1 P23415 1/20 0.35
▸ GPR84 Q9NQS5 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ TBXAS1 P24557 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL28824876 0.83 GAA (0.39) ALDH1A1HSD17B10FFAR1
SCHEMBL7937910 0.77 GPR84 (0.52) GPR84ALDH1A1THRATHRBHSD17B10
SCHEMBL15093875 0.75 KEAP1 (0.48) THRATHRBFFAR1
SCHEMBL8967024 0.73 GPR84 (0.47) GPR84ALDH1A1THRATHRBHSD17B10
SCHEMBL985763 0.71 RXRA (0.47) GLRA1ALDH1A1KMT2A
SCHEMBL1554681 0.70 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL31218542 0.68 NPC1 (0.41) HSD17B10
SCHEMBL2000488 0.68 RARB (0.56) ALDH1A1THRATHRBHSD17B10FFAR1
SCHEMBL1404913 0.68 ALDH1A1 (0.56) ALDH1A1
Acetone SCHEMBL28498158 0.67 LMNA (0.38) GLRA1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989123-B Flavone-3-carboxylic acid compound, bactericidal composition containing same and application thereof 长江大学 2024-05-31 — — CN disclosed
CN-114716451-B Frutinone compound and preparation method and application thereof 长江大学 2023-11-17 — — CN disclosed
CN-114989123-A Flavone-3-carboxylic acid compound, bactericidal composition containing compound and application 长江大学 2022-09-02 — — CN disclosed
CN-114716451-A Frutinone compound and preparation method and application thereof 长江大学 2022-07-08 — — CN disclosed
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