SCHEMBL5679154

SCHEMBL5679154

CCOC(=O)c1cc2cc(OC(C)=O)ccc2n1Cc1ccc(Cl)c(I)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.64
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
CCR2 P41597 10/20 0.51
F10 P00742 2/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7007261 0.98 ABCB11 (0.62) ABCB11NOD2NOD1CCR2F10
SCHEMBL6599360 0.91 ABCB11 (0.77) ABCB11NOD2NOD1CCR2F10
SCHEMBL6780026 0.89 ABCB11 (0.64) ABCB11NOD2NOD1CCR2F10
SCHEMBL6780426 0.88 ABCB11 (0.62) ABCB11NOD2NOD1CCR2F10
SCHEMBL5679412 0.88 ABCB11 (0.63) ABCB11NOD2NOD1CCR2F10
SCHEMBL6775631 0.86 ABCB11 (0.64) ABCB11NOD2NOD1CCR2F10
SCHEMBL7083815 0.86 ABCB11 (0.61) ABCB11NOD2NOD1CCR2F10
SCHEMBL7098037 0.84 ABCB11 (0.59) ABCB11NOD2NOD1CCR2F10
SCHEMBL6782501 0.84 ABCB11 (0.58) ABCB11NOD2NOD1CCR2F10
SCHEMBL7084148 0.84 ABCB11 (0.61) ABCB11NOD2NOD1CCR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268423-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-01 EP disclosed
US-6984657-B1 Indole derivatives as MCP-1 receptor antagonists ASTRAZENECA AB (SE) 2006-01-10 US disclosed
EP-1268423-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2003-01-02 EP disclosed
WO-2001051467-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2001-07-19 WO disclosed