SCHEMBL30229482

SCHEMBL30229482

CC(=O)OC1=C(C)CC(C)(C)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ HTT P42858 2/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ PREP P48147 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALPL P05186 1/20 0.32

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
SCHEMBL28768989 0.87 ALDH1A1 (0.37) ALDH1A1HTTNCOA1NCOA3MAPT
SCHEMBL3443461 0.83 HTT (0.36) ALDH1A1HTTNCOA1NCOA3MAPT
SCHEMBL6675180 0.80 KMT2A (0.35) ALDH1A1HTTNCOA1NCOA3MAPT
SCHEMBL3205365 0.76 MAOA (0.38) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL10861612 0.72 CYP19A1 (0.36) ALDH1A1HTTMAPTKDM4EPREP
SCHEMBL3204288 0.71 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL15419511 0.71 ALDH1A1 (0.44) ALDH1A1HTTNCOA1NCOA3MAPT
SCHEMBL3199022 0.69 TSHR (0.38) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL11934162 0.66 MAOA (0.43) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL10948755 0.66 NPC1 (0.44) ALDH1A1NCOA1NCOA3MAPTPREP

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-2023033601-A1 METHOD FOR SCREENING SOLVENT FOR POLYVINYL CHLORIDE EXTRACTION, RECYCLING METHOD FOR WASTE MATERIAL, AND RECYCLED POLYVINYL CHLORIDE AND COMPOSITION 주식회사 엘지화학 2023-03-09 — — WO claimed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 — — WO claimed
WO-2023033601-A1 METHOD FOR SCREENING SOLVENT FOR POLYVINYL CHLORIDE EXTRACTION, RECYCLING METHOD FOR WASTE MATERIAL, AND RECYCLED POLYVINYL CHLORIDE AND COMPOSITION 주식회사 엘지화학 2023-03-09 — — WO disclosed
WO-2023033605-A1 METHOD FOR SCREENING SOLVENT FOR EXTRACTING POLYVINYL CHLORIDE, METHOD FOR RECYCLING WASTE, RECYCLED POLYVINYL CHLORIDE, AND COMPOSITION 주식회사 엘지화학 2023-03-09 — — WO disclosed
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