SCHEMBL8517203

SCHEMBL8517203

NC1=CC=CCC1=COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHFR P00374 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
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
SCHEMBL9440647 0.77
SCHEMBL8376704 0.77 PIN1 (0.33) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9842780 0.72
SCHEMBL6836753 0.71 AKT1 (0.42) CYP1A2GAA
SCHEMBL452742 0.64 ALDH1A1 (0.43) CA1CA2CA9CYP3A4TAAR1
Tannin Pyrogallol SCHEMBL14761858 0.63 LTA4H (0.39) CA1CA2HSD17B10CYP1A2GAA
SCHEMBL5084367 0.63 RAB9A (0.34) CA1CA2CA9HSD17B10CHRNB2
SCHEMBL10616053 0.63 MIF (0.42) CA2CA9
Biphenyl SCHEMBL27503454 0.62 ALDH1A1 (0.41) CYP3A4TAAR1HSD17B10TDP1CYP1A2
SCHEMBL28270415 0.62 ALDH1A1 (0.41) CYP3A4TAAR1HSD17B10TDP1CYP1A2

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 10 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
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
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
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
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
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
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