SCHEMBL6258111

SCHEMBL6258111

CCCCCC(Br)C(Cl)C(CC(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
ALOX5 P09917 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
DAO P14920 1/20 0.35
SRD5A2 P31213 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OXER1 Q8TDS5 2/20 0.34
IDO1 P14902 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL20377512 0.99 CCKBR (0.40) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL6927646 0.99 CCKBR (0.40) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL6261180 0.97 DRD2 (0.40) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL1399700 0.92 DRD2 (0.44) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL16862663 0.82 ALOX5 (0.38) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL16862671 0.82 ALOX5 (0.38) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL1121804 0.77 DRD2 (0.46) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL19182733 0.77 DRD2 (0.46) CCKBRDRD2DRD3ALOX5HPGD
SCHEMBL20377513 0.75 GPR84 (0.47) GAAMMP2MMP9MAPTMMP1
SCHEMBL16862658 0.75 OXER1 (0.44) MMP2MMP9MMP12KDM4EHSD17B10

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-1334205-B1 METHOD FOR IDENTIFYING LISTERIA MONOCYTOGENES AND CULTURE MEDIUM BIOMERIEUX SA (FR) 2005-10-26 EP claimed