SCHEMBL7735972

SCHEMBL7735972

O=C(O)c1cccc(-c2cc(C#Cc3ccccc3)cc(-c3cccc(C(=O)O)n3)n2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ECE1 P42892 1/20 0.47
ERN1 O75460 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HNF4A P41235 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
PADI1 Q9ULC6 1/20 0.40
PADI3 Q9ULW8 1/20 0.40
PADI4 Q9UM07 1/20 0.40
PADI2 Q9Y2J8 1/20 0.40
BCL2L1 Q07817 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL7734741 0.87 PTPN11 (0.36) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL143651 0.81 KDM4E (0.73) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29355234 0.81 KDM4E (0.73) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL23069157 0.79 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29446940 0.79 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL70765 0.79 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29357675 0.79 KDM4E (0.76) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL15360233 0.78 ALOX15 (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1202115 0.77 GRM5 (0.56) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL3753307 0.74 KDM4E (0.61) KDM4EALOX15TSHRACMSDTDP1

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