SCHEMBL7793404

SCHEMBL7793404

O=C(NCCc1ccccc1)C(CSSCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCCc1ccccc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.43
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL7803203 0.90 POLB (0.51) POLBCA2CA1CA5AMMP8
SCHEMBL7793406 0.86 POLB (0.49) POLBCA2CA1CA5ACA12
SCHEMBL7800969 0.85 MMP2 (0.55) POLBCA2CA1CA5ACA7
SCHEMBL7793435 0.77 CA12 (0.52) POLBCA2CA1CA5ACA7
SCHEMBL7798914 0.77 POLB (0.48) POLBCA2CA12CA9MMP1
SCHEMBL7793390 0.76 KMT2A (0.57) CA2CA12CA9KMT2A
SCHEMBL7799262 0.75 POLB (0.52) POLBCA2CA12CA9MMP8
SCHEMBL7803207 0.74 POLB (0.43) POLBCA2CA1CA5AMMP8
SCHEMBL1329533 0.74 SLC1A3 (0.56) F10SLC1A3SLC1A2SLC1A1CA2
SCHEMBL13073722 0.72 KMT2A (0.53) POLBMMP2MMP9MMP8KMT2A

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-1143960-A2 CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES Roche Diagnostics GmbH (DE) 2001-10-17 EP disclosed
WO-2000027378-A2 CYSTINE DERIVATIVES AS THERAPEUTIC AGENTS FOR MATRIX METALLOPROTEASE RELATED DISEASES ROCHE DIAGNOSTICS GMBH (DE) 2000-05-18 WO disclosed