SCHEMBL10447685

SCHEMBL10447685

O=C1C=CC(=O)N1c1cccc(Cl)c1Cc1c(Cl)cccc1N1C(=O)C=CC1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 15/20 0.63
▸ TLR9 Q9NR96 2/20 0.52
▸ FAAH O00519 4/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2343843 0.79 MGLL (0.70) MGLLTLR9FAAH
SCHEMBL29376713 0.78 MGLL (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL58050 0.78 MGLL (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL28883339 0.76 MGLL (0.66) MGLLTLR9FAAH
SCHEMBL9172497 0.76 MGLL (0.66) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL9162082 0.71 MGLL (0.59) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL3868551 0.71 MGLL (0.59) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL5086724 0.70 MGLL (0.72) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL10983121 0.70 MGLL (0.58) MGLLTLR9FAAHALDH1A1HSP90AA1
SCHEMBL121404 0.70 TLR9 (1.00) MGLLTLR9FAAHALDH1A1HSP90AA1

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-0394949-A2 Process for producing allylsubstituted phenol compound and the product MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-10-31 — — EP disclosed
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