SCHEMBL8130693

SCHEMBL8130693

C[C@@H](C(=O)N1CCc2sc(CC(=O)O)cc2C1)N(C(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL7989195 0.88 ADORA1 (0.39) PRMT5WDR77
SCHEMBL7986751 0.86 ITGB3 (0.44) PRMT5WDR77
SCHEMBL7986784 0.84 ITGB3 (0.37) PRMT5WDR77
SCHEMBL7992690 0.81 ADORA1 (0.43) PRMT5WDR77
SCHEMBL7992152 0.81 ITGB3 (0.40) PRMT5WDR77
SCHEMBL7975424 0.79 ITGB3 (0.40) PRMT5WDR77
SCHEMBL8132497 0.79 ALDH1A1 (0.34) PRMT5WDR77
SCHEMBL7974753 0.79 HCRTR2 (0.46)
SCHEMBL7974748 0.79 HCRTR2 (0.46)
SCHEMBL7989036 0.78 ADORA1 (0.35) PRMT5WDR77

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
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed