SCHEMBL8538353

SCHEMBL8538353

COc1ccc(S(=O)(=O)CCCCCCc2ncc[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.52
MMP8 P22894 2/20 0.52
HTT P42858 3/20 0.45
TBXAS1 P24557 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP1 P03956 4/20 0.44
NAMPT P43490 1/20 0.42
PKM P14618 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8535356 0.84 TBXAS1 (0.48) HTTTBXAS1NAMPTALDH1A1GAA
SCHEMBL8535819 0.84 TBXAS1 (0.48) HTTTBXAS1NAMPTALDH1A1GAA
SCHEMBL8538925 0.78 TBXAS1 (0.46) TBXAS1MEN1KMT2A
SCHEMBL10569165 0.76 MMP13 (0.66) MMP13MMP8HTTNPSR1MMP1
SCHEMBL8538995 0.76 TBXAS1 (0.57) HTTTBXAS1MMP1NAMPTALDH1A1
SCHEMBL8537670 0.76 TBXAS1 (0.57) HTTTBXAS1MMP1NAMPTALDH1A1
SCHEMBL8535738 0.75 HRH3 (0.47) HTTTBXAS1NPSR1NAMPTMEN1
SCHEMBL6820212 0.75 MMP8 (0.60) MMP13MMP8HTTNPSR1MMP1
SCHEMBL8537671 0.74 TBXAS1 (0.45) HTTTBXAS1NAMPTALDH1A1GAA
SCHEMBL8538862 0.74 TBXAS1 (0.45) HTTTBXAS1NAMPTALDH1A1GAA

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
US-5750532-A TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS SCHERING CORPORATION (US) 1998-05-12 US disclosed