SCHEMBL15909588

SCHEMBL15909588

NC(=O)CC[C@H](Nc1cc(Br)ccc1S(=O)(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 6/20 0.43
MMP9 P14780 5/20 0.43
CA2 P00918 7/20 0.42
CA1 P00915 6/20 0.42
KMT2A Q03164 1/20 0.38
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PRNP P04156 1/20 0.34
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FOLH1 Q04609 2/20 0.34
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP13 P45452 1/20 0.33
KEAP1 Q14145 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
SCHEMBL176806 0.85 MMP9 (0.45) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL177021 0.81 CA2 (0.49) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL176872 0.77 CASR (0.51) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL2521890 0.77 MMP9 (0.46) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL177108 0.76 L3MBTL1 (0.45) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL176798 0.76 CA2 (0.50) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL177076 0.75 CASR (0.53) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL176825 0.74 CA2 (0.47) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL14575670 0.74 MMP9 (0.43) L3MBTL1MMP2MMP9CA2CA1
SCHEMBL176845 0.74 CA2 (0.51) L3MBTL1MMP2MMP9CA2CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP disclosed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 US disclosed