SCHEMBL7656972

SCHEMBL7656972

NC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.55
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
ITGB3 P05106 5/20 0.50
ITGAV P06756 5/20 0.50
ITGA2B P08514 5/20 0.50
F2 P00734 8/20 0.46
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7375788 0.83 SLC1A3 (0.66) MMP7SLC1A3SLC1A2CA1CA2
Trifluoroacetic Acid SCHEMBL7656969 0.83 SLC1A3 (0.62) MMP7SLC1A3SLC1A2CA1CA2
SCHEMBL7653133 0.80 SLC1A3 (0.44) MMP7SLC1A3SLC1A2CA1CA2
SCHEMBL7661320 0.78 ALDH1A1 (0.42) MMP1MMP2MMP13MEN1KMT2A
SCHEMBL5183965 0.75 MMP7 (0.61) MMP7SLC1A3SLC1A2CA1CA2
SCHEMBL7654081 0.75 SLC1A3 (0.45) SLC1A3SLC1A2ITGB3ITGA2BMEN1
SCHEMBL6029029 0.72 ITGB3 (0.54) MMP7SLC1A3SLC1A2CA1CA2
SCHEMBL7065939 0.72 NPSR1 (0.68) MMP7SLC1A3SLC1A2CA1CA2
SCHEMBL5185012 0.72 SLC1A3 (0.59) MMP7SLC1A3SLC1A2CA1CA2
SCHEMBL4342415 0.71 NPSR1 (0.60) MMP7SLC1A3SLC1A2CA1CA2

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-6335337-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-01-01 US disclosed