SCHEMBL5679203

SCHEMBL5679203

Cc1ccc(Cn2c(OC(=O)O)cc3cc(O)ccc32)cc1F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.45
ABCB11 O95342 4/20 0.45
MAPT P10636 3/20 0.39
PKM P14618 3/20 0.39
KDM4E B2RXH2 2/20 0.39
F10 P00742 1/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
S1PR3 Q99500 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5682947 0.87 CCR2 (0.57) CCR2ABCB11MAPTPKMKDM4E
SCHEMBL5681979 0.84 CCR2 (0.43) CCR2ABCB11MAPTF10ALDH1A1
SCHEMBL5679174 0.83 CCR2 (0.65) CCR2ABCB11F10
SCHEMBL5679149 0.78 CCR2 (0.54) CCR2ABCB11KDM4EALDH1A1THRB
SCHEMBL5680846 0.78 CCR2 (0.54) CCR2ABCB11
SCHEMBL5680853 0.76 CCR2 (0.51) CCR2ABCB11
SCHEMBL5683030 0.75 CCR2 (0.53) CCR2ABCB11F10
SCHEMBL5681505 0.75 CCR2 (0.53) CCR2ABCB11KDM4EALDH1A1
SCHEMBL7079549 0.73 ABCB11 (0.54) CCR2ABCB11MAPTGAALMNA
SCHEMBL7072404 0.71 CCR2 (0.67) CCR2ABCB11

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