SCHEMBL8669546

SCHEMBL8669546

CC(C(=O)O)c1ccc([N+](=O)[O-])cc1.CCCCCCCCCCCCCCC(CCC(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 2/20 0.44
▸ CYSLTR1 Q9Y271 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ TBXAS1 P24557 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 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
SCHEMBL8658926 0.84 CYP1A2 (0.54) CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR
SCHEMBL1171006 0.81 ALDH1A1 (0.47) CYSLTR2CYSLTR1ALDH1A1TBXAS1MAPT
SCHEMBL8658932 0.79 CYP1A2 (0.52) ALDH1A1CYP1A2TSHRMAPTAKR1C3
SCHEMBL29116460 0.78 CYSLTR2 (0.45) CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR
SCHEMBL4575497 0.78 CYP1A2 (0.56) CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR
SCHEMBL8669550 0.77 ALDH1A1 (0.45) ALDH1A1PTGS2MAPTKMT2ALMNA
SCHEMBL13729738 0.73 FFAR1 (0.52) ALDH1A1CYP1A2TSHRMAPTKMT2A
Sulfamate SCHEMBL28050249 0.73 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR
SCHEMBL2299567 0.73 CYP1A2 (0.62) CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR
SCHEMBL6248795 0.73 CYP1A2 (0.62) CYSLTR2CYSLTR1ALDH1A1CYP1A2TSHR

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-0870054-A1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS IDEXX LABORATORIES, INC. (US) 1998-10-14 — — EP disclosed
WO-1996040980-A1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS IDEXX LABORATORIES, INC. (US) 1996-12-19 — — WO disclosed
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