SCHEMBL31423110

SCHEMBL31423110

COC(=O)c1cc2ccc(C3CCOCC3)cc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ TLR8 Q9NR97 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL29479161 0.92 KDM4E (0.44) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL27096449 0.92 KDM4E (0.44) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31273396 0.89 KDM4E (0.42) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31229604 0.88 MAOB (0.46) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31423294 0.85 TBK1 (0.45) KDM4EALDH1A1GAASMYD3IKBKE
SCHEMBL25396475 0.84 MMP9 (0.43) TLR9TLR8POLBRAB9ASMN1; SMN2
SCHEMBL31273371 0.77 DAO (0.37) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31423089 0.77 MAOB (0.51) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31422768 0.76 MAOB (0.53) KDM4EALDH1A1HSD17B10TSHRGAA
SCHEMBL31273139 0.76 KDM4E (0.46) KDM4EALDH1A1HSD17B10GAASMYD3

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
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
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