SCHEMBL6004588

SCHEMBL6004588

O=C(NC[C@H](C(=O)NCC1CC(Br)=NO1)c1ccc(O)cc1)OCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 15/20 0.59
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CASP1 P29466 2/20 0.35
AIMP2 Q13155 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL6004049 0.85 TGM2 (0.64) TGM2CYP1A2
SCHEMBL6002856 0.84 TGM2 (0.57) TGM2
SCHEMBL4929227 0.84 TGM2 (0.82) TGM2CTSLCTSBCTSS
SCHEMBL4929220 0.84 TGM2 (0.82) TGM2CTSLCTSBCTSS
SCHEMBL6004042 0.84 TGM2 (0.82) TGM2CTSLCTSBCTSS
SCHEMBL6002875 0.84 TGM2 (0.59) TGM2CYP1A2
SCHEMBL6002850 0.83 TGM2 (0.59) TGM2CYP1A2
SCHEMBL4395083 0.74 TGM2 (1.00) TGM2CTSLCTSBCTSS
SCHEMBL4302758 0.74 TGM2 (1.00) TGM2CTSLCTSBCTSS
SCHEMBL13934064 0.74 TGM2 (1.00) TGM2CTSLCTSBCTSS

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