SCHEMBL598733

SCHEMBL598733

O=S(=O)(NCCN(CCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 1/20 0.36
HDAC6 Q9UBN7 7/20 0.36
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
SIGMAR1 Q99720 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL17407541 0.79 TSHR (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL31090051 0.72 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL18896033 0.70 TSHR (0.44) CA1CA2MMP1MMP2MMP9
SCHEMBL26075366 0.67 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL10359572 0.64 CA1 (0.46) CA1CA2MMP1MMP2MMP9
SCHEMBL15989333 0.64 TSHR (0.38) CA1CA2ALDH1A1HDAC6SIGMAR1
SCHEMBL26075163 0.63 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL22909156 0.63 CA1 (0.45) CA1CA2MMP1MMP2MMP9
SCHEMBL17296510 0.63 CA1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL2347469 0.62 CA1 (0.71) CA1CA2MMP1MMP2MMP9

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
US-8114280-B2 Separation matrix and method of purification GE HEALTHCARE BIO-SCIENCES AB (SE) 2012-02-14 US disclosed
US-20070196858-A1 Separation Matrix And Method Of Purification GE HEALTHCARE BIO-SCIENCES AB (SE) 2007-08-23 US disclosed