SCHEMBL6413864

SCHEMBL6413864

CCCNCCCCNCCCCNCCCCNC(C(O)(S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C)(S(=O)(=O)c1c(C)cc(C)cc1C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
FABP4 P15090 1/20 0.39
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR3C1 P04150 4/20 0.33
PGR P06401 4/20 0.33
NR3C2 P08235 4/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33
PAOX Q6QHF9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 3/20 0.31

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
SCHEMBL5887533 0.74 CA1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL6094467 0.71 FABP4 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL5887535 0.68 MAPT (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL7937672 0.65 FABP4 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL6414538 0.65 FABP4 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL3687291 0.63 L3MBTL1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL4746858 0.62 FABP4 (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL4747454 0.61 FABP4 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL7517048 0.61 FABP4 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL24441746 0.61 SIGMAR1 (0.42) POLBTSHRDRD2DRD4DRD3

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-1515973-A1 PORPHYRIN-POLYAMINE CONJUGATES FOR CANCER THERAPY Cellgate Inc. (US) 2005-03-23 EP disclosed
WO-2004002991-A1 PORPHYRIN-POLYAMINE CONJUGATES FOR CANCER THERAPY CELLGATE, INC. (US) 2004-01-08 WO disclosed