SCHEMBL28846594

SCHEMBL28846594

O=C1c2ccccc2C(=O)N1Sc1ccccc1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ MC4R P32245 1/20 0.54
▸ PTGS2 P35354 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ PTPN1 P18031 2/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ PTPRF P10586 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ TSHR P16473 3/20 0.36
▸ GAA P10253 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 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
SCHEMBL30091420 1.00 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL28846592 0.76 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL5887367 0.73 PTGDR2 (0.41) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL944629 0.73 CETP (0.43) MAPTPTGS2PTPN1PTPRCPTPRF
SCHEMBL944717 0.70 CETP (0.41) MAPTPTGS2PTGDR2BCHEACHE
SCHEMBL29373092 0.70 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL79946 0.70 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10MAPTPKM
SCHEMBL4476575 0.70 PTGS2 (0.56) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL14627410 0.70 PTGDR2 (0.39) PTGS2PTPN1PTPRCPTPRFCDC25B
Hydrogen Sulfide SCHEMBL12520703 0.69 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10MAPTPKM

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
CN-115087697-A Flame retardant chemical composition 诺德特利特芬兰公司 2022-09-20 — — CN disclosed
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