SCHEMBL7589131

SCHEMBL7589131

CC(=O)OC(C)C(=O)Nc1c(I)c(CCC(=O)O)c(I)c(NC(=O)C(C)OC(C)=O)c1I

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
KLK7 P49862 2/20 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
SCHEMBL8416621 0.93 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8416155 0.91 LMNA (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8416679 0.84
SCHEMBL8418058 0.84
SCHEMBL7591791 0.82
SCHEMBL8416154 0.81 LMNA (0.36) LMNA
SCHEMBL10881983 0.77 LMNA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7581413 0.76 LMNA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7581409 0.76 LMNA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7594233 0.75 SMN1; SMN2 (0.41) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed