SCHEMBL9015839

SCHEMBL9015839

CCCc1c(I)c(CCC)c(I)c(CCC)c1I

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TYMP P19971 1/20 0.31
NOS2 P35228 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
SCHEMBL9015819 0.80 NPC1 (0.41) KDM4EHPGDTYMPNOS2
SCHEMBL7766725 0.80 NOS2 (0.33) NOS2
SCHEMBL9122570 0.78 TSHR (0.39) KDM4EALDH1A1HPGDTYMP
SCHEMBL2309435 0.76 KDM4E (0.38) KDM4EALDH1A1GAAHPGDTYMP
SCHEMBL9015796 0.76 THRB (0.44) KDM4EALDH1A1TYMP
SCHEMBL2381790 0.76 THRB (0.44) KDM4EALDH1A1TYMP
SCHEMBL21676942 0.72 NOS2 (0.50) KDM4EALDH1A1GAAHPGDNOS2
SCHEMBL21286973 0.71 NPC1 (0.39) KDM4EHPGDTYMPNOS2
SCHEMBL5587110 0.70 LDHA (0.33) KDM4EALDH1A1HPGD
SCHEMBL5586679 0.70 LDHA (0.33) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385721-A X-ray radiology and computer tomography; uniform coating of the soft tissues; medical diagnosis STERLING WINTHROP INC. (US) 1995-01-31 US claimed
EP-0609589-A2 Compositions of alkylbenzenes in film-forming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP claimed
EP-0609588-A2 Compositions of alkylbenzenes for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP claimed
US-5334370-A X-ray contrast mixtures for diagnostic radiology consisting of iodo alkylbenzene, a polysaccharide salt or a anionic polymers STERLING WINTHROP INC. (US) 1994-08-02 US claimed
US-5308607-A FOR USE IN DIAGNOSTIC RADIOLOGY STERLING WINTHROP INC. (US) 1994-05-03 US claimed
EP-0746339-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES NYCOMED IMAGING AS (NO) 1996-12-11 EP disclosed
WO-1995022995-A1 X-RAY CONTRAST COMPOSITIONS CONTAINING CELLULOSE DERIVATIVES NYCOMED IMAGING A/S (NO) 1995-08-31 WO disclosed
EP-0609589-A2 Compositions of alkylbenzenes in film-forming materials for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP disclosed
EP-0609588-A2 Compositions of alkylbenzenes for visualization of the gastrointestinal tract NYCOMED IMAGING AS (NO) 1994-08-10 EP disclosed
US-5334370-A X-ray contrast mixtures for diagnostic radiology consisting of iodo alkylbenzene, a polysaccharide salt or a anionic polymers STERLING WINTHROP INC. (US) 1994-08-02 US disclosed
US-5308607-A FOR USE IN DIAGNOSTIC RADIOLOGY STERLING WINTHROP INC. (US) 1994-05-03 US disclosed