SCHEMBL7070871

SCHEMBL7070871

CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1C1(O)CCN(Cc2cccc(Oc3ccccc3OC)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.84
KCNH2 Q12809 5/20 0.47
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL6509148 0.91 CCR8 (1.00) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6501296 0.90 CCR8 (0.86) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL7063399 0.89 CCR8 (0.83) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6505643 0.86 CCR8 (0.78) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6504810 0.85 CCR8 (0.77) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6501070 0.84 CCR8 (0.86) CCR8KCNH2FAAHMEN1KMT2A
SCHEMBL6496005 0.82 CCR8 (0.73) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6500877 0.81 CCR8 (0.71) CCR8KCNH2MGLLMEN1KMT2A
SCHEMBL6506653 0.81 CCR8 (0.70) CCR8KCNH2FAAH
SCHEMBL7064954 0.80 CCR8 (0.70) CCR8KCNH2FAAHMEN1KMT2A

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-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed