SCHEMBL5571806

SCHEMBL5571806

COc1ccc(C=CC(=O)c2cc(-c3cc4ccccc4s3)c(OC)cc2OC)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 8/20 0.66
ABCG2 Q9UNQ0 5/20 0.55
ACHE P22303 1/20 0.55
MAOB P27338 1/20 0.55
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AR P10275 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
SCHEMBL5571695 0.90 TNFRSF1A (0.69) TNFRSF1AABCG2MEN1KMT2AMAPT
SCHEMBL5574920 0.90 TNFRSF1A (0.69) TNFRSF1AABCG2MEN1KMT2AMAPT
SCHEMBL5571802 0.80 TNFRSF1A (1.00) TNFRSF1AABCG2
SCHEMBL5571804 0.80 TNFRSF1A (1.00) TNFRSF1AABCG2
SCHEMBL5574930 0.78 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5574927 0.78 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5575692 0.78 TNFRSF1A (0.73) TNFRSF1AABCG2MAPT
SCHEMBL5575927 0.78 TNFRSF1A (0.73) TNFRSF1AABCG2MAPT
SCHEMBL4728448 0.78 TNFRSF1A (0.75) TNFRSF1AABCG2MAOBAR
SCHEMBL4728450 0.78 TNFRSF1A (0.75) TNFRSF1AABCG2MAOBAR

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