SCHEMBL7076414

SCHEMBL7076414

Cc1cccc(Cn2c(C(=O)O)cc3ccccc32)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.76
PLA2G10 O15496 1/20 0.62
GPR35 Q9HC97 2/20 0.56
NOD2 Q9HC29 1/20 0.55
NOD1 Q9Y239 1/20 0.55
CCR9 P51686 2/20 0.54
F10 P00742 2/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 2/20 0.52
MAPT P10636 1/20 0.52
ECE1 P42892 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL5378162 0.87 CCR2 (1.00) CCR2PLA2G10GPR35NOD2NOD1
SCHEMBL29845455 0.86 CCR2 (0.81) CCR2PLA2G10GPR35NOD2NOD1
SCHEMBL3191922 0.86 CCR2 (0.76) CCR2GPR35CCR9
SCHEMBL6300900 0.85 CCR2 (0.65) CCR2GPR35F10ALDH1A1ECE1
SCHEMBL27811964 0.84 CCR2 (0.76) CCR2PLA2G10GPR35F10ALDH1A1
SCHEMBL3957310 0.84 CCR2 (1.00) CCR2PLA2G10GPR35CCR9F10
SCHEMBL3283216 0.83 CCR2 (0.67) CCR2PLA2G10NOD2NOD1CCR9
SCHEMBL3956671 0.83 CCR2 (0.77) CCR2PLA2G10GPR35CCR9F10
SCHEMBL3655296 0.83 CCR9 (0.54) CCR2GPR35CCR9MAPT
SCHEMBL3664017 0.83 CCR2 (0.55) CCR2GPR35F10MAPTECE1

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-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed