SCHEMBL5576287

SCHEMBL5576287

COc1cc(C=CC(=O)c2cc(-c3cccs3)ccc2OC)ccc1OCc1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 16/20 0.71
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL14454081 0.83 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5576289 0.83 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5576279 0.79 TNFRSF1A (0.69) TNFRSF1AALDH1A1KDM4EMEN1TP53
SCHEMBL5573380 0.78 TNFRSF1A (1.00) TNFRSF1AMAPT
SCHEMBL5573378 0.78 TNFRSF1A (1.00) TNFRSF1AMAPT
SCHEMBL6110701 0.77 TNFRSF1A (0.70) TNFRSF1AABCG2
SCHEMBL6109483 0.76 TNFRSF1A (0.65) TNFRSF1AALDH1A1ABCG2MEN1TP53
SCHEMBL5571678 0.75 TNFRSF1A (0.87) TNFRSF1AALDH1A1KDM4EABCG2MEN1
SCHEMBL5575655 0.74 TNFRSF1A (0.67) TNFRSF1A
SCHEMBL5575652 0.74 TNFRSF1A (0.67) TNFRSF1A

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-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed