SCHEMBL6004049

SCHEMBL6004049

O=C(NC[C@H](C(=O)NCC1CC(Br)=NO1)c1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 13/20 0.64
CYP1A2 P05177 1/20 0.44
ITGB3 P05106 6/20 0.41
ITGAV P06756 5/20 0.41
ITGA2B P08514 3/20 0.40

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
SCHEMBL6002850 0.94 TGM2 (0.59) TGM2CYP1A2ITGB3ITGAV
SCHEMBL6002875 0.87 TGM2 (0.59) TGM2CYP1A2ITGB3ITGA2B
SCHEMBL9825352 0.86 TGM2 (0.68) TGM2CYP1A2
SCHEMBL6002856 0.86 TGM2 (0.57) TGM2
SCHEMBL1367897 0.85 TGM2 (0.63) TGM2CYP1A2ITGB3ITGAV
SCHEMBL6004588 0.85 TGM2 (0.59) TGM2CYP1A2
SCHEMBL1091900 0.82 TGM2 (0.72) TGM2CYP1A2
SCHEMBL1103747 0.82 TGM2 (0.72) TGM2CYP1A2
SCHEMBL1091898 0.82 TGM2 (0.72) TGM2CYP1A2
SCHEMBL4598758 0.81 TGM2 (0.62) TGM2

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-1706129-A1 DRUG THERAPY FOR CELIAC SPRUE The Board of Trustees of The Leland Stanford Junior University (US) 2006-10-04 EP disclosed
WO-2005049064-A1 DRUG THERAPY FOR CELIAC SPRUE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-06-02 WO disclosed