SCHEMBL9559017

SCHEMBL9559017

CCOC(=O)CCCCCCCCCCc1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.58
CYP4F2 P78329 2/20 0.55
CYP4A11 Q02928 2/20 0.55
CYP4F11 Q9HBI6 1/20 0.52
CYP4F12 Q9HCS2 1/20 0.52
ALOX5 P09917 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TBXAS1 P24557 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL1263477 1.00 CYP4Z1 (0.58) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL7658000 0.98 CYP4Z1 (0.59) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL7653079 0.94 CYP4F2 (0.58) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL9671800 0.92 CYP4Z1 (0.65) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL6204525 0.87 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10929511 0.87 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL765853 0.87 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10289901 0.87 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL4871127 0.87 CYP4F2 (0.72) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL11615189 0.86 CYP4Z1 (0.59) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258172-A Intestines, iodinated carboxylic acids RUBIN DANIEL L (US) 1993-11-02 US disclosed
EP-0165994-B1 CONTRAST AGENTS AND METHOD OF USE THEREOF RUBIN, Daniel Lee (US) 1990-07-18 EP disclosed
EP-0165994-A4 CONTRAST AGENTS AND METHOD OF USE THEREOF. RUBIN DANIEL LEE 1986-11-07 EP disclosed
EP-0165994-A1 CONTRAST AGENTS AND METHOD OF USE THEREOF. RUBIN DANIEL LEE 1986-01-02 EP disclosed
WO-1985003004-A1 CONTRAST AGENTS AND METHOD OF USE THEREOF RUBIN DANIEL LEE 1985-07-18 WO disclosed