SCHEMBL7937672

SCHEMBL7937672

CCNCCCC(N)(S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NR3C1 P04150 6/20 0.35
PGR P06401 4/20 0.35
NR3C2 P08235 4/20 0.35
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL7517197 0.73 FABP4 (0.34) FABP4CA1CA2MMP1MMP2
SCHEMBL4746886 0.71 NR3C1 (0.36) FABP4CA1CA2MMP1MMP2
SCHEMBL6413864 0.65 CA1 (0.39) FABP4CA1CA2MMP1MMP2
SCHEMBL5887533 0.63 CA1 (0.42) FABP4CA1CA2MMP1MMP2
SCHEMBL5887535 0.63 MAPT (0.46) FABP4CA1CA2MMP1MMP2
SCHEMBL14454650 0.63 RAPGEF4 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL3867855 0.62 CA1 (0.59) FABP4CA1CA2MMP1MMP2
SCHEMBL7511658 0.62 FABP4 (0.61) FABP4CA1CA2MMP1MMP2
SCHEMBL7517048 0.62 FABP4 (0.61) FABP4CA1CA2MMP1MMP2
SCHEMBL5963342 0.61 FABP4 (0.76) FABP4CA1CA2MMP1MMP2

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-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 US disclosed