SCHEMBL7799221

SCHEMBL7799221

CN(C(=O)C(CSSCC(NC=O)C(=O)NCc1ccccc1)NC=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN9A Q15858 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ANPEP P15144 3/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MMP8 P22894 4/20 0.39
PPIB P23284 1/20 0.38

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
SCHEMBL7799219 0.87 MME (0.49) MMECA12CA1CA2CA3
SCHEMBL7798914 0.74 POLB (0.48) CA12CA2CA9KMT2AMMP1
SCHEMBL13085992 0.73 CA12 (0.68) MMECA12CA1CA2CA3
SCHEMBL7349415 0.73 CA12 (0.49) CA12CA1CA2CA3CA4
SCHEMBL7799228 0.70 MME (0.40) MMECA12CA1CA2CA3
SCHEMBL14091688 0.70 CA12 (0.49) MMECA12CA1CA2CA3
SCHEMBL9915143 0.69 CA12 (0.65) MMECA12CA1CA2CA3
SCHEMBL16289738 0.67 CA12 (0.49) MMECA12CA1CA2CA3
SCHEMBL14091963 0.66 CTSS (0.60) CA12CA1CA2CA3CA4
SCHEMBL24414225 0.66 MMP9 (0.61) KMT2AMEN1MMP8

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