SCHEMBL5679149

SCHEMBL5679149

COc1ccc(Cn2c(OC(=O)O)cc3cc(O)ccc32)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.54
ABCB11 O95342 4/20 0.54
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCR3 P51677 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
SCHEMBL5680846 0.92 CCR2 (0.54) CCR2ABCB11
SCHEMBL5682947 0.87 CCR2 (0.57) CCR2ABCB11KDM4EALDH1A1
SCHEMBL5680853 0.87 CCR2 (0.51) CCR2ABCB11
SCHEMBL5679145 0.85 CCR2 (0.75) CCR2ABCB11
SCHEMBL5683030 0.80 CCR2 (0.53) CCR2ABCB11
SCHEMBL5681505 0.80 CCR2 (0.53) CCR2ABCB11KDM4EALDH1A1
SCHEMBL5679166 0.79 CCR2 (0.57) CCR2ABCB11KDM4ESMN1; SMN2NPSR1
SCHEMBL7072404 0.78 CCR2 (0.67) CCR2ABCB11
SCHEMBL5679203 0.78 CCR2 (0.45) CCR2ABCB11KDM4EALDH1A1THRB
SCHEMBL7079549 0.78 ABCB11 (0.54) CCR2ABCB11SMN1; SMN2

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
EP-1268423-B1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-01 EP claimed