SCHEMBL7798930

SCHEMBL7798930

CCS(NS(=O)(=O)Cc1ccccc1)(SCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
POLB P06746 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
CA2 P00918 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
CA5A P35218 1/20 0.36
F2 P00734 1/20 0.36
MMP8 P22894 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL7803207 0.92 POLB (0.43) POLBCA2KMT2ACA1CA5A
SCHEMBL7793421 0.86 POLB (0.43) POLBCA2KMT2ACA1CA5A
SCHEMBL7793404 0.81 F10 (0.48) F10POLBCA2KMT2AMEN1
SCHEMBL7799269 0.78 MTNR1A (0.45) POLBITGB3CA2CA1CA5A
SCHEMBL7793442 0.78 POLB (0.43) POLBCA2KMT2AMEN1CA1
SCHEMBL7803203 0.77 POLB (0.51) POLBCA2KMT2AMEN1CA1
SCHEMBL7798918 0.77 POLB (0.42) POLBCA2KMT2ACA1CA5A
SCHEMBL7793398 0.76 L3MBTL1 (0.46) POLBCA2KMT2A
SCHEMBL7802324 0.73 ITGB3 (0.48) ITGB3
SCHEMBL7798895 0.73 NPC1 (0.50) KMT2AMMP8

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