SCHEMBL31344732

SCHEMBL31344732

NS(=O)(=O)c1cccc(CCO)c1CCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.42
CA1 P00915 9/20 0.42
CA9 Q16790 7/20 0.42
CA6 P23280 4/20 0.42
CA12 O43570 4/20 0.42
CA4 P22748 3/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
CA14 Q9ULX7 2/20 0.42
CDK2 P24941 1/20 0.42
CYP2C9 P11712 1/20 0.38
STAT3 P40763 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL15924803 0.85 STAT3 (0.40) CA2CA1CA9CA6CA12
SCHEMBL5075686 0.84 TTR (0.38) CA2CA1CA9CA6CA12
SCHEMBL623822 0.83 CA2 (0.47) CA2CA1CA9CA6CA12
SCHEMBL29704117 0.83 CA2 (0.47) CA2CA1CA9CA6CA12
SCHEMBL8156946 0.82 CA2 (0.37) CA2CA1CA9CA6CA12
SCHEMBL1805638 0.81 PTGES2 (0.43) CA2CA1CA9CA6CA12
SCHEMBL1806647 0.81 CA2 (0.41) CA2CA1CA9CA6CA12
SCHEMBL1804572 0.81 CA2 (0.41) CA2CA1CA9CA6CA12
SCHEMBL3717674 0.79 CA2 (0.42) CA2CA1CA9CA6CA12
SCHEMBL28826120 0.77 PTGES2 (0.45) CA2CA1CA9CA12CA5A

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
WO-2024251389-A1 PLASTICIZERS FOR POLYAMIDE PROVIRON HOLDING N.V. (BE) 2024-12-12 WO disclosed