SCHEMBL6783152

SCHEMBL6783152

CCOC(=O)c1cc2c(Br)c(OC(C)=O)ccc2n1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.49
CCR2 P41597 10/20 0.48
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
F10 P00742 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL6308528 0.82 CCR2 (0.53) ABCB11CCR2MAPTTDP1KDM4E
SCHEMBL6595112 0.82 CCR2 (0.59) ABCB11CCR2MAPTTDP1KDM4E
SCHEMBL6302602 0.81 CCR2 (0.57) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6780153 0.81 ABCB11 (0.54) ABCB11CCR2MAPTKDM4EHTT
SCHEMBL7839309 0.80 CCR2 (0.57) ABCB11CCR2MAPTTDP1KDM4E
SCHEMBL6596419 0.80 ABCB11 (0.57) ABCB11CCR2MAPTTDP1KDM4E
SCHEMBL6300925 0.79 CCR2 (0.71) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6599360 0.79 ABCB11 (0.77) ABCB11CCR2MAPTTDP1KDM4E
SCHEMBL6999936 0.78 CCR2 (0.56) CCR2MAPTTDP1KDM4EMAPK1
SCHEMBL6302592 0.78 NOD2 (0.57) ABCB11CCR2MAPTTDP1KDM4E

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
US-6737435-B1 ANTIINFLAMMATORY AGENTS; MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) DISEASES ASTRAZENECA AB (SE) 2004-05-18 US disclosed