SCHEMBL8377993

SCHEMBL8377993

CC(=O)c1cccc(C(=O)c2cccc(C(C)=O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.65
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 1/20 0.50
SMYD3 Q9H7B4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PBRM1 Q86U86 1/20 0.48
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL30452117 0.93 L3MBTL1 (0.78) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL4667551 0.93 L3MBTL1 (0.78) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL279656 0.92 ALDH1A1 (0.59) TDP1ATML3MBTL1ALDH1A1MEN1
Ethylene Glycol SCHEMBL9374043 0.86 L3MBTL1 (0.67) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL4958273 0.85 ALDH1A1 (0.53) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL25142152 0.83 L3MBTL1 (0.52) TDP1ATML3MBTL1ALDH1A1KMT2A
Sulfuric Acid SCHEMBL28400618 0.83 ALDH1A1 (0.58) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL29902348 0.83 CA12 (0.58) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL246827 0.83 CA12 (0.58) TDP1ATML3MBTL1ALDH1A1MEN1
SCHEMBL18084558 0.82 CDC25A (0.54) TDP1ATML3MBTL1

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-5958376-A Iodinated X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
US-5958375-A Urea-linked, iodinated bis phenyl compounds for X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
EP-0782565-B1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-04-07 EP disclosed
CN-1164225-A Iodinated X-ray-contrast media NYCOMED IMAGING AS (NO) 1997-11-05 CN disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed