SCHEMBL6231852

SCHEMBL6231852

CC(C)OC(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.57
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
LNPEP Q9UIQ6 1/20 0.56
PADI3 Q9ULW8 1/20 0.52
PADI4 Q9UM07 1/20 0.52
EPHX1 P07099 2/20 0.49
LIPG Q9Y5X9 1/20 0.48
PTGES O14684 1/20 0.48
KCNB1 Q14721 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47

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
SCHEMBL12111459 0.86 NPC1 (0.57)
SCHEMBL6230841 0.85 AOC3 (0.63) AOC3ERAP2ERAP1LNPEPPADI3
SCHEMBL17346787 0.83 PADI3 (0.47) PADI3PADI4
SCHEMBL6919408 0.82 TSHR (0.42)
SCHEMBL12408719 0.82 CYP1A2 (0.47)
SCHEMBL6225888 0.81 LMNA (0.50) PTGES
SCHEMBL18638228 0.81 ERAP2 (0.67) AOC3ERAP2ERAP1LNPEPLIPG
SCHEMBL18664426 0.80 HDAC1 (0.60) AOC3ERAP2ERAP1LNPEPPADI3
SCHEMBL17549815 0.79 CASP3 (0.44)
SCHEMBL6418674 0.79 AOC3 (0.67) AOC3ERAP2ERAP1LNPEPPADI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620961-B1 Plant safening agents such as methyl N-(3-phenylbenzyl)-carbamate, used for prevention of plant diseases caused oomycetes, ascomycetes, deuteromycetes or basidiomycetes KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-09-16 US claimed
EP-1010690-B1 BIARYLALKYLENECARBAMIC ACID DERIVATIVES AND BACTERIOCIDES FOR AGRICULTURAL AND HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-03-30 EP disclosed
US-6620961-B1 Plant safening agents such as methyl N-(3-phenylbenzyl)-carbamate, used for prevention of plant diseases caused oomycetes, ascomycetes, deuteromycetes or basidiomycetes KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-09-16 US disclosed
EP-1010690-A1 BIARYLALKYLENECARBAMIC ACID DERIVATIVES AND BACTERIOCIDES FOR AGRICULTURAL AND HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-21 EP disclosed