SCHEMBL8376704

SCHEMBL8376704

O=[N+]([O-])C1=CC=CCC1=COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.33
HPRT1 P00492 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
FAAH O00519 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
PTGS2 P35354 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ABCB1 P08183 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8517203 0.77 CA1 (0.33) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9440647 0.72
SCHEMBL2943642 0.72
SCHEMBL9842780 0.67
SCHEMBL5254768 0.60
SCHEMBL1284365 0.60 HSPB1 (0.61) PIN1POLBMAPK1ALDH1A1MAPT
SCHEMBL1262464 0.59 CA1 (0.47) MAPK1ALDH1A1CYP1A2GAACYP2C9
SCHEMBL452742 0.59 ALDH1A1 (0.43) MAPK1ALDH1A1MAPTCYP1A2GAA
SCHEMBL6266396 0.59
Tannin Pyrogallol SCHEMBL14761858 0.59 LTA4H (0.39) MAPK1PTGS2ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793644-B1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AG (DE) 1999-03-24 EP claimed
US-5783722-A FUNGICIDES AND PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US claimed
EP-0793644-A1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-09-10 EP claimed
WO-1996016029-A1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO claimed
EP-0793644-B1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AG (DE) 1999-03-24 EP disclosed
US-5783722-A FUNGICIDES AND PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0793644-A1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-09-10 EP disclosed
WO-1996016029-A1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed