SCHEMBL11904769

SCHEMBL11904769

CCCC(CCCC(=O)O)c1cc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
CCKBR P32239 3/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.43
DRD3 P35462 1/20 0.42
OXER1 Q8TDS5 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DAO P14920 1/20 0.40
SRD5A2 P31213 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IDO1 P14902 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL22931310 0.85 DRD2 (0.49) DRD2HPGDGAAALOX5DRD3
SCHEMBL9225107 0.84 DRD2 (0.44) DRD2CCKBRHPGDGAAALOX5
SCHEMBL28088464 0.81 KDM4E (0.45) DRD2CCKBRHPGDGAAALOX5
SCHEMBL28890610 0.81 KDM4E (0.45) DRD2CCKBRHPGDGAAALOX5
SCHEMBL10774538 0.81 KDM4E (0.45) DRD2CCKBRHPGDGAAALOX5
SCHEMBL22931232 0.79 DRD2 (0.47) DRD2HPGDGAAALOX5DRD3
SCHEMBL5851328 0.78 ALOX5 (0.51) DRD2CCKBRHPGDGAAALOX5
SCHEMBL9227391 0.77 KDM4E (0.42) DRD2CCKBRHPGDGAAALOX5
SCHEMBL10759696 0.77 ALOX5 (0.51) DRD2CCKBRHPGDGAAALOX5
SCHEMBL31497395 0.77 ALOX5 (0.48) DRD2HPGDGAAALOX5DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487235-B1 Medium for detecting Streptococcus agalatiae using esterase activity BIOMERIEUX SA (FR) 2014-07-02 EP disclosed
EP-2487235-A1 Medium for detecting streptococcus agalactiae using esterase activity bioMérieux (FR) 2012-08-15 EP disclosed