SCHEMBL6665551

SCHEMBL6665551

O=C(O)C1=C(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32

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
SCHEMBL6503256 0.86 SLC6A2 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL2482088 0.84 LMNA (0.31)
SCHEMBL2481485 0.84 LMNA (0.31)
SCHEMBL8197222 0.84 LMNA (0.31)
SCHEMBL1955758 0.84 LMNA (0.31)
SCHEMBL6492089 0.83 KDM4E (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL6492100 0.83 KDM4E (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL6498188 0.82 F2 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL502170 0.81 CXCR2 (0.31)
SCHEMBL6688982 0.75 AKR1C3 (0.31) CA1CA2

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
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed