SCHEMBL4264374

SCHEMBL4264374

O=C(OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OC(=O)c1cc(I)cc(I)c1I)c1cc(I)cc(I)c1I

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
PTPN1 P18031 1/20 0.30
SOS1 Q07889 1/20 0.30

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
2,3,5-Triiodobenzoic Acid SCHEMBL4264372 0.77 TPMT (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9324413 0.72 SOS1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22014240 0.68 TSHR (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26586703 0.68 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5998639 0.68 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL568691 0.68 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28506373 0.67 PTPN1 (0.39) PTPN1
SCHEMBL14081588 0.67 MAPK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19678485 0.67 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14037577 0.67 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066362-A1 RADIOPAQUE AMIDE POLYMERS AND MEDICAL DEVICES FORMED THEREOF Boston Scientific Limited (BB) 2009-06-10 EP claimed
WO-2008033198-A1 RADIOPAQUE AMIDE POLYMERS AND MEDICAL DEVICES FORMED THEREOF BOSTON SCIENTIFIC LIMITED (BB) 2008-03-20 WO claimed