SCHEMBL4746880

SCHEMBL4746880

CCNC(CCCN)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.36
NR3C2 P08235 12/20 0.36
PGR P06401 10/20 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
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
FABP4 P15090 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 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
SCHEMBL4746886 0.69 NR3C1 (0.36) NR3C1NR3C2PGRCA1CA2
SCHEMBL4821971 0.68 F2 (0.43) NR3C1NR3C2PGRCA1CA2
SCHEMBL5887639 0.66 F2 (0.36) NR3C1NR3C2PGRCA1CA2
SCHEMBL6099983 0.66 MEN1 (0.35) NR3C1NR3C2PGRCA1CA2
SCHEMBL7940206 0.65 FABP4 (0.34) NR3C1CA1CA2MMP1MMP2
SCHEMBL10050619 0.63 L3MBTL1 (0.55) NR3C1NR3C2PGRCA1CA2
SCHEMBL3867855 0.62 CA1 (0.59) NR3C1NR3C2PGRCA1CA2
SCHEMBL4291314 0.62 F2 (0.44) NR3C1NR3C2PGRCA1CA2
SCHEMBL17101162 0.62 L3MBTL1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL11560892 0.62 CA1 (0.45) NR3C1NR3C2PGRCA1CA2

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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed