SCHEMBL7734741

SCHEMBL7734741

O=C([O-])c1cccc(-c2cc(C#Cc3ccccc3)cc(-c3cccc(C(=O)[O-])n3)n2)n1.O=C([O-])c1cccc(-c2cc(C#Cc3ccccc3)cc(-c3cccc(C(=O)[O-])n3)n2)n1.O=C([O-])c1cccc(-c2cc(C#Cc3ccccc3)cc(-c3cccc(C(=O)[O-])n3)n2)n1.[Tb+3].[Tb+3]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.36
PTGER1 P34995 8/20 0.36
TBXA2R P21731 1/20 0.35
PPARG P37231 1/20 0.35
PTGER3 P43115 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HNF4A P41235 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ECE1 P42892 1/20 0.35
APP P05067 1/20 0.34
CNR2 P34972 1/20 0.34
KAT6A Q92794 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.33

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
SCHEMBL7735972 0.87 KDM4E (0.48) PTPN11PTGER1AKR1C2AKR1C1HNF4A
Dipicolinic Acid SCHEMBL795787 0.70 KDM4E (0.56) PTGER1KDM4EALOX15TSHRACMSD
SCHEMBL15360233 0.68 ALOX15 (0.50) PTPN11AKR1C2AKR1C1HNF4AFFAR1
SCHEMBL29355234 0.66 KDM4E (0.73) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL143651 0.66 KDM4E (0.73) ECE1KDM4EALOX15TSHRACMSD
Potassium Ion SCHEMBL2746664 0.66 CA2 (0.48) PTPN11AKR1C2AKR1C1HNF4AFFAR1
Dipicolinic Acid SCHEMBL674980 0.66 KDM4E (0.56) PTGER1KDM4EALOX15TSHRACMSD
Dipicolinic Acid SCHEMBL2276246 0.66 KDM4E (0.56) PTGER1KDM4EALOX15TSHRACMSD
Dipicolinic Acid SCHEMBL3340788 0.66 KDM4E (0.56) PTGER1KDM4EALOX15TSHRACMSD
Dipicolinic Acid SCHEMBL9753719 0.66 KDM4E (0.56) PTGER1KDM4EALOX15TSHRACMSD

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-6402986-B1 LUMINESCENT EUROPIUM CHELATES SHOWING SUPERIOR ABSORPTION AND ENERGY TRANSFER FEATURES; ANTICOUNTERFEITING THE TRUSTEES OF BOSTON UNIVERSITY 2002-06-11 US disclosed