SCHEMBL6468704

SCHEMBL6468704

CCCCc1ccc[c]c1CCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
SIGMAR1 Q99720 7/20 0.43
LIPG Q9Y5X9 1/20 0.41
HTR2A P28223 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
BID P55957 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BAK1 Q16611 1/20 0.39
EP300 Q09472 1/20 0.38
KAT5 Q92993 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10894648 0.97 KCNH2 (0.49) KCNH2SIGMAR1LIPGHTR2AEP300
SCHEMBL5332631 0.95 KCNH2 (0.40) KCNH2SIGMAR1LIPGHTR2ACYSLTR2
SCHEMBL981449 0.89 LIPG (0.47) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL980262 0.89 LIPG (0.47) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL983670 0.89 LIPG (0.47) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL9016158 0.89 LIPG (0.47) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL815963 0.89 LIPG (0.47) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL983961 0.89 LIPG (0.47) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL21523344 0.87 LIPG (0.49) KCNH2LIPGCYSLTR2CYSLTR1BID
SCHEMBL21523328 0.87 LIPG (0.49) KCNH2LIPGCYSLTR2CYSLTR1BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed