SCHEMBL9123772

SCHEMBL9123772

CCCCCCCc1cccc(CCCCCCC)c1CCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.57
KCNH2 Q12809 2/20 0.52
BID P55957 3/20 0.51
MCL1 Q07820 3/20 0.51
BCL2L1 Q07817 2/20 0.51
BAK1 Q16611 2/20 0.51
KAT8 Q9H7Z6 2/20 0.51
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
ALOX5 P09917 2/20 0.50
PTGS2 P35354 1/20 0.50
TYR P14679 2/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
NR1H2 P55055 1/20 0.46

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
SCHEMBL30301799 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL30581335 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL11341318 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL5675055 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL7265082 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL5421151 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL4078754 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL8405915 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL7799663 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1
SCHEMBL11326716 1.00 LIPG (0.57) LIPGKCNH2BIDMCL1BCL2L1

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-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
US-4039793-A PRODUCTION OF MONOCHLORO- AND ARYL SUBSTITUTED SATURATED COMPOUNDS UOP INC. (US) 1977-08-02 US disclosed