SCHEMBL9123014

SCHEMBL9123014

CC(C)CCCc1cc(CCCC(C)C)cc(CCCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
FUT7 Q11130 1/20 0.44
LMNA P02545 2/20 0.39
GPR84 Q9NQS5 3/20 0.39
PTGS2 P35354 3/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CNR1 P21554 1/20 0.34
DAO P14920 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRA P10827 1/20 0.33

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
SCHEMBL70160 0.84 PTGS2 (0.57) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL7091120 0.82 FUT7 (0.45) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL30692429 0.82 GRIN2D (0.39) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL27798205 0.80 PTGS2 (0.47) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL5751176 0.80 GRIN2D (0.41) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL9289014 0.79 TYR (0.39) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL25557978 0.79 PTGS2 (0.46) GRIN2DGRIN2AGRIN2BGRIN2CFUT7
SCHEMBL108633 0.77 LMNA (0.54) LMNAPKMHPGD
SCHEMBL13862419 0.77 GRIN2D (0.43) GRIN2DGRIN2AGRIN2BGRIN2CLMNA
SCHEMBL14668127 0.77 NOS1 (0.38) GRIN2DGRIN2AGRIN2BGRIN2CFUT7

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-5385721-A X-ray radiology and computer tomography; uniform coating of the soft tissues; medical diagnosis STERLING WINTHROP INC. (US) 1995-01-31 US 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