SCHEMBL29323852

SCHEMBL29323852

C=Cc1ccc(C(=O)OC(CS(=O)(=O)c2ccc(O)cc2)CS(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.41
CA1 P00915 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL29323853 0.89 TDP1 (0.39) CA2CA1CA9TDP1KMT2A
SCHEMBL29323813 0.88 POLB (0.40) CA12CA9TDP1
SCHEMBL29323843 0.85 HSD11B1 (0.43) CA2CA1CA12CA9CA7
SCHEMBL29323835 0.77 TAS1R3 (0.40) CA2CA1CA12CA9CA7
SCHEMBL26861547 0.77 CA1 (0.54) CA2CA1CA12CA9CA7
SCHEMBL29323810 0.71 KMT2A (0.43) CA2CA1CA12CA9CA7
SCHEMBL14458602 0.69 KMT2A (0.74) CA2CA1CA12CA9CA7
SCHEMBL26862704 0.68 CA1 (0.43) CA2CA1CA12CA9CA7
SCHEMBL20695774 0.68 KMT2A (0.49) CA2CA1CA12CA9CA7
4-Vinylphenol SCHEMBL28941792 0.68 ALDH1A1 (0.55) CA2CA1CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed