SCHEMBL7780853

SCHEMBL7780853

O=C(O)CCc1ccc(I)c(I)c1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KEAP1 Q14145 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ PTGER4 P35408 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ GPR17 Q13304 1/20 0.40
▸ FFAR1 O14842 6/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 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
SCHEMBL15379086 0.86 PARP1 (0.49) NPSR1KEAP1PTGER1PTGER4PTGER3
SCHEMBL28991119 0.79 AKR1B1 (0.43) POLBADRA1AMEN1KMT2A
SCHEMBL17605074 0.76 FFAR1 (0.47) KEAP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3652088 0.74 POLB (0.51) NPSR1KEAP1POLBFFAR1MAPK1
SCHEMBL4336097 0.73 KEAP1 (0.54) NPSR1KEAP1PTGER1PTGER4PTGER3
SCHEMBL30403428 0.73 KEAP1 (0.54) NPSR1KEAP1PTGER1PTGER4PTGER3
SCHEMBL16124423 0.73 PCNA (0.63) POLBFFAR1MAPK1ADRA1ASMN1; SMN2
SCHEMBL10711638 0.72 LMNA (0.49) NPSR1POLBPTGER1PTGER4PTGER3
SCHEMBL5429266 0.72 FFAR1 (0.49) NPSR1POLBGPR17FFAR1HDAC6
SCHEMBL7317838 0.72 FFAR1 (0.45) NPSR1POLBGPR17FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588869-B1 X-RAY CONTRAST AGENT SCOTIA LIPIDTEKNIK AB (SE) 1999-10-13 — — EP claimed
US-5550263-A PHOSPHOLIPID TO WHICH X-RAY CONTRAST AGENT HAS BEEN COVALENTLY LINKED BY ESTER OR AMIDE BOND KARLSHAMNS LIPIDTEKNIK AB (SE) 1996-08-27 — — US claimed
EP-0588869-A1 X-RAY CONTRAST AGENT KARLSHAMNS LIPIDTEKNIK AB (SE) 1994-03-30 — — EP claimed
WO-1992021384-A1 X-RAY CONTRAST AGENT KARLSHAMNS LIPIDTEKNIK AB (SE) 1992-12-10 — — WO claimed
EP-1133346-A1 A PROCESS FOR THE RECOVERY OF IODINE FROM AQUEOUS SOLUTIONS CONTAINING IODINATED ORGANIC COMPOUNDS Bracco Imaging S.p.A. (IT) 2001-09-19 — — EP disclosed
WO-2000032303-A1 A PROCESS FOR THE RECOVERY OF IODINE FROM AQUEOUS SOLUTIONS CONTAINING IODINATED ORGANIC COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2000-06-08 — — WO disclosed
EP-0588869-B1 X-RAY CONTRAST AGENT SCOTIA LIPIDTEKNIK AB (SE) 1999-10-13 — — EP disclosed
US-5550263-A PHOSPHOLIPID TO WHICH X-RAY CONTRAST AGENT HAS BEEN COVALENTLY LINKED BY ESTER OR AMIDE BOND KARLSHAMNS LIPIDTEKNIK AB (SE) 1996-08-27 — — US disclosed
EP-0703790-A1 IODINATED PARAMAGNETIC CHELATES, AND THEIR USE AS CONTRAST AGENTS BRACCO S.p.A. (IT) 1996-04-03 — — EP disclosed
WO-1994027644-A1 IODINATED PARAMAGNETIC CHELATES, AND THEIR USE AS CONTRAST AGENTS BRACCO S.P.A. (IT) 1994-12-08 — — WO disclosed
EP-0588869-A1 X-RAY CONTRAST AGENT KARLSHAMNS LIPIDTEKNIK AB (SE) 1994-03-30 — — EP disclosed
WO-1992021384-A1 X-RAY CONTRAST AGENT KARLSHAMNS LIPIDTEKNIK AB (SE) 1992-12-10 — — WO disclosed
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