SCHEMBL28534868

SCHEMBL28534868

O=S(=O)(O)c1ccccc1-c1ccc(C=Cc2ccccc2)c(C=Cc2ccccc2)c1S(=O)(=O)O.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.35
TRPA1 O75762 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.33
NFE2L2 Q16236 2/20 0.32
CHAT P28329 1/20 0.32
SNCA P37840 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
SCHEMBL28397366 0.99 TRPA1 (0.36) TRPV1TRPA1HTR2AHTR2CKCNH2
SCHEMBL29822585 0.99 TRPA1 (0.36) TRPV1TRPA1HTR2AHTR2CKCNH2
SCHEMBL28693919 0.85 PELI1 (0.42) TRPA1HTR2AHTR2CKCNH2PTPN1
SCHEMBL2528157 0.83 TRPA1 (0.40) TRPV1TRPA1HTR2AHTR2CKCNH2
SCHEMBL6877991 0.83 PELI1 (0.43) TRPV1TRPA1HTR2AHTR2CKCNH2
SCHEMBL6877993 0.83 TRPA1 (0.42) TRPV1TRPA1NFE2L2
SCHEMBL566321 0.82 TRPA1 (0.39) TRPV1TRPA1HTR2AHTR2CKCNH2
SCHEMBL28400808 0.78 TSHR (0.40) TRPV1TRPA1HTR2AHTR2CKCNH2
SCHEMBL14484835 0.78 TRPA1 (0.46) TRPA1HTR2AHTR2CKCNH2ALDH1A1
SCHEMBL3936740 0.78 TRPA1 (0.46) TRPA1HTR2AHTR2CKCNH2ALDH1A1

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-109206750-B Method for improving compatibility of distyrylbiphenyl whitening agent and PP plastic 湖南工程学院 2021-03-12 CN disclosed