SCHEMBL17365609

SCHEMBL17365609

CSSC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(NC(C)=O)C(C)C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 6/20 0.44
▸ NMUR1 Q9HB89 5/20 0.43
▸ CALCRL Q16602 3/20 0.43
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 2/20 0.42
▸ CAPN1 P07384 2/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ REN P00797 1/20 0.39

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
SCHEMBL16020785 0.86 XIAP (0.42) NMUR2NMUR1CALCRLPRMT5WDR77
SCHEMBL9068934 0.83 CALCRL (0.52) NMUR2CALCRLPRMT5WDR77CAPN1
SCHEMBL16018483 0.83 XIAP (0.42) NMUR2NMUR1CALCRLPRMT5WDR77
SCHEMBL9082723 0.83 CALCRL (0.55) NMUR2CALCRLPRMT5WDR77CAPN1
SCHEMBL31497340 0.81 KEAP1 (0.54) NMUR2NMUR1CALCRLPRMT5WDR77
SCHEMBL31497328 0.81 KEAP1 (0.52) NMUR2CALCRLPRMT5WDR77CAPN1
SCHEMBL6524705 0.80 BACE1 (0.48) NMUR2CALCRLREN
SCHEMBL31497335 0.79 KEAP1 (0.55) NMUR2CALCRLPRMT5WDR77CAPN1
SCHEMBL7401470 0.79 CALCRL (0.48) CALCRLKEAP1
SCHEMBL31497348 0.78 CALCRL (0.50) NMUR2NMUR1CALCRLPRMT5WDR77

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
US-9221889-B2 VEGF-specific capture agents, compositions, and methods of using and making INDI MOLECULAR, INC. (US) 2015-12-29 — — US disclosed
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