SCHEMBL8658932

SCHEMBL8658932

CCCCCCCCCCCCC(C(=O)O)c1ccc([N+](=O)[O-])cc1.CCCCCCCCCCCCC(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PNKP Q96T60 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ ASAH2 Q9NR71 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL10350758 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL2299567 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL6248802 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL3660414 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL6248795 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL3847842 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL4609123 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL2299563 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL3847837 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1
SCHEMBL3663769 0.91 CYP1A2 (0.62) CYP1A2TSHRGAAHPGDALDH1A1

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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