SCHEMBL28433748

SCHEMBL28433748

O=S(=O)(c1ccccc1)C12CC3(S(=O)(=O)c4ccccc4)CC(S(=O)(=O)c4ccccc4)(C1)CC(S(=O)(=O)c1ccccc1)(C2)C3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.56
HTR6 P50406 1/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
PLA2G7 Q13093 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9145279 0.87 GAA (0.48) GAAMCOLN3HTR6CA1CA2
SCHEMBL3240736 0.76 GAA (0.47) GAAMCOLN3HTR6CA1CA2
SCHEMBL16865174 0.75 GAA (0.83) GAAMCOLN3HTR6CA1CA2
SCHEMBL3193854 0.71 GAA (1.00) GAAMCOLN3HTR6CA1CA2
SCHEMBL22026800 0.71 GAA (0.52) GAAMCOLN3HTR6CA1CA2
SCHEMBL8396917 0.71 GAA (0.57) GAAMCOLN3HTR6CA1CA2
SCHEMBL29832096 0.71 GAA (0.57) GAAMCOLN3HTR6CA1CA2
SCHEMBL6099547 0.71 GAA (0.91) GAAMCOLN3HTR6CA1CA2
SCHEMBL28916526 0.71 GAA (0.57) GAAMCOLN3HTR6CA1CA2
SCHEMBL7541463 0.71 GAA (0.63) GAAMCOLN3HTR6CA1CA2

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
CN-109096539-B Flame retardant and preparation method thereof, and polycarbonate composite material and preparation method thereof 广东工业大学 2020-08-07 CN claimed
CN-109096539-B Flame retardant and preparation method thereof, and polycarbonate composite material and preparation method thereof 广东工业大学 2020-08-07 CN disclosed