SCHEMBL30229484

SCHEMBL30229484

COc1ccc(OC)c(CC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
IDO1 P14902 2/20 0.56
ADRA1A P35348 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
HTR2A P28223 1/20 0.53
ALDH1A1 P00352 2/20 0.50
AOC3 Q16853 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APLNR P35414 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
JUN P05412 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL885029 1.00 HSD17B10 (0.57) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL1613798 0.85 APLNR (0.62) HSD17B10HTR2AALDH1A1CA12CA1
SCHEMBL7332987 0.82 ADRA1A (0.62) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL10391370 0.82 APLNR (0.46) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL4619441 0.81 MAPT (0.52) IDO1ADRA1ATAAR1ALDH1A1
SCHEMBL2848289 0.81 ALOX5 (0.56) HSD17B10IDO1ADRA1ATAAR1HTR2A
SCHEMBL2689127 0.81 ALDH1A1 (0.52) ALDH1A1
SCHEMBL30536248 0.81 ALDH1A1 (0.52) ALDH1A1
SCHEMBL12476008 0.81 ACHE (0.50) ALDH1A1
SCHEMBL805159 0.80 HSD17B10 (0.65) HSD17B10IDO1ADRA1ATAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
US-20240392094-A1 Method for Screening Solvent for Polyvinyl Chloride Extraction, Recycling Method for Waste Material, and Recycled Polyvinyl Chloride and Composition LG CHEM, LTD. (KR) 2024-11-28 US disclosed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN disclosed
CN-117534554-A Preparation method of deoxyshikonin 四川轻化工大学 2024-02-09 CN 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