SCHEMBL29479161

SCHEMBL29479161

COC(=O)c1cc2ccc(C3CC3)cc2[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ SMYD3 Q9H7B4 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ MMP9 P14780 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38

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
SCHEMBL27096449 1.00 KDM4E (0.44) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31273396 0.95 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31423110 0.92 KDM4E (0.40) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31273371 0.84 DAO (0.37) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31273139 0.83 KDM4E (0.46) KDM4EALDH1A1HSD17B10GAASMYD3
SCHEMBL17226839 0.82 MMP9 (0.47) KDM4ETLR9TLR8MMP9PDE4B
SCHEMBL31423089 0.82 MAOB (0.51) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31422768 0.81 MAOB (0.53) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31273321 0.80 MMP9 (0.38) KDM4EALDH1A1HSD17B10TSHRTLR9
SCHEMBL10330638 0.79 KDM4E (0.61) KDM4EALDH1A1HSD17B10TSHRGAA

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
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
CN-119101045-A Nitrogen-containing heterocyclic compounds, and preparation method and application thereof 上海宇道生物技术有限公司 2024-12-10 — — CN disclosed
EP-4232444-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2023-08-30 — — EP disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 — — WO disclosed
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