SCHEMBL4249764

SCHEMBL4249764

O=S(=O)(O)c1ccccc1/C=C\c1ccc(-c2ccc(/C=C\c3ccccc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
NFE2L2 Q16236 5/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HDAC2 Q92769 2/20 0.39
KCNH2 Q12809 2/20 0.38
CA1 P00915 1/20 0.38
MGLL Q99685 1/20 0.38
RAD1 O60671 1/20 0.37
P2RY6 Q15077 1/20 0.37
CYP2D6 P10635 1/20 0.37
FGF23 Q9GZV9 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CISD1 Q9NZ45 1/20 0.36

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
SCHEMBL29410976 1.00 TRPA1 (0.40) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL175610 1.00 TRPA1 (0.40) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL175609 1.00 TRPA1 (0.40) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL29364722 0.98 HTR2A (0.40) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL9121829 0.98 TRPA1 (0.39) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL4997533 0.98 TRPA1 (0.39) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL4997548 0.98 HTR2A (0.40) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL183120 0.98 TRPA1 (0.39) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL327320 0.98 TRPA1 (0.39) TRPA1NFE2L2TDP1HTR2AHTR2C
SCHEMBL4997540 0.98 TRPA1 (0.39) TRPA1NFE2L2TDP1HTR2AHTR2C

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
US-11768160-B2 Multiparameter standard solution for water-quality analysis U.S. GEOLOGICAL SURVEY (US) 2023-09-26 US disclosed
US-11768160-B2 Multiparameter standard solution for water-quality analysis U.S. GEOLOGICAL SURVEY (US) 2023-09-26 US disclosed
US-20210372941-A1 MULTIPARAMETER STANDARD SOLUTION FOR WATER-QUALITY ANALYSIS UNITED STATES GEOLOGICAL SURVEY (US) 2021-12-02 US disclosed
EP-2128236-B1 Light duty detergent CHEMISCHE FABRIK KREUSSLER & CO GMBH (DE) 2018-04-11 EP disclosed
EP-2128236-A1 Light duty detergent CHEMISCHE FABRIK KREUSSLER & CO. GMBH (DE) 2009-12-02 EP disclosed