SCHEMBL8658926

SCHEMBL8658926

CCCCCCCCCCC(CCC(=O)O)c1ccccc1[N+](=O)[O-].CCCCCCCCCCCCC(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ CYSLTR2 Q9NS75 8/20 0.49
▸ CYSLTR1 Q9Y271 8/20 0.49
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ PLK3 Q9H4B4 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 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
SCHEMBL6248802 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL10350758 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL3847837 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL6248795 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL2299563 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL4609123 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL2299567 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL3847842 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL3660414 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD
SCHEMBL3663769 0.90 CYP1A2 (0.62) CYP1A2TSHRCYSLTR2CYSLTR1HPGD

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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