SCHEMBL5575689

SCHEMBL5575689

COc1cc(C(=O)C=Cc2ccc(OC)c(OC)c2OC)cc(-c2cccs2)c1OC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 14/20 0.67
ABCG2 Q9UNQ0 1/20 0.59
CYP1A1 P04798 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP1B1 Q16678 2/20 0.57
CYP3A4 P08684 1/20 0.53
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5571761 0.84 TNFRSF1A (0.81) TNFRSF1AABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL5571769 0.84 TNFRSF1A (0.81) TNFRSF1AABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL5571808 0.83 TNFRSF1A (0.74) TNFRSF1AABCG2
SCHEMBL5571805 0.83 TNFRSF1A (0.74) TNFRSF1AABCG2
SCHEMBL6112015 0.82 TNFRSF1A (0.72) TNFRSF1AABCG2CYP3A4TP53
SCHEMBL5575691 0.82 TNFRSF1A (0.72) TNFRSF1AABCG2CYP1A1CYP1A2CYP2D6
SCHEMBL5571674 0.81 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5571669 0.81 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5575698 0.79 TNFRSF1A (0.71) TNFRSF1ACYP1A1CYP1A2CYP1B1CYP3A4
SCHEMBL5576005 0.79 TNFRSF1A (0.71) TNFRSF1ACYP1A1CYP1A2CYP1B1CYP3A4

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