SCHEMBL29967356

SCHEMBL29967356

COCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CETP P11597 2/20 0.42
CYP1A2 P05177 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 2/20 0.41
ALOX12 P18054 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PTGS2 P35354 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL810744 1.00 ALOX5 (0.53) ALOX5MAPTMEN1KMT2ACETP
SCHEMBL1446528 0.91 MAPT (0.63) ALOX5MAPTMEN1KMT2AHSD17B10
SCHEMBL29820187 0.91 MAPT (0.63) ALOX5MAPTMEN1KMT2AHSD17B10
SCHEMBL26736125 0.84 ALOX5 (0.55) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL31043299 0.83 MAPT (0.54) ALOX5MAPTMEN1KMT2ACYP1A2
SCHEMBL6563131 0.82 MAPT (0.79) ALOX5MAPTMEN1KMT2ACETP
SCHEMBL30785795 0.82 MAPT (0.79) ALOX5MAPTMEN1KMT2ACETP
SCHEMBL810748 0.82 MAPT (0.53) ALOX5MAPTMEN1KMT2AALDH1A1
SCHEMBL17148017 0.81 MAPT (0.49) ALOX5MAPTMEN1KMT2APTGS2
SCHEMBL30560666 0.81 MAPT (0.46) ALOX5MAPTCETPCYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260126-B Chiral quaternary ammonium salt with (S) -binaphthyl, preparation method and application 湖南城市学院 2024-01-30 CN claimed
CN-118459337-A Preparation method and detection method of fluorescent probe capable of specifically and selectively recognizing tryptophan 海南大学 2024-08-09 CN disclosed
CN-115260126-B Chiral quaternary ammonium salt with (S) -binaphthyl, preparation method and application 湖南城市学院 2024-01-30 CN disclosed
CN-115260126-B Chiral quaternary ammonium salt with (S) -binaphthyl, preparation method and application 湖南城市学院 2024-01-30 CN disclosed
CN-115260126-A Chiral quaternary ammonium salt with (S) -binaphthyl and preparation method and application thereof 湖南城市学院 2022-11-01 CN disclosed