SCHEMBL27363765

SCHEMBL27363765

CC(C)C(C)C(=O)OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
LMNA P02545 3/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
TSHR P16473 2/20 0.34
HTR1A P08908 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
SLC7A5 Q01650 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL383408 0.83 SMN1; SMN2 (0.38) TSHRSMN1; SMN2SLC7A5CA14
SCHEMBL28842007 0.78
SCHEMBL756027 0.77 SLC7A5 (0.46) ALOX15CHRM2CHRM4CHRM5CHRM1
SCHEMBL28911829 0.77 SLC7A5 (0.46) ALOX15CHRM2CHRM4CHRM5CHRM1
SCHEMBL3647669 0.76
SCHEMBL996401 0.76
SCHEMBL29700536 0.76
SCHEMBL27472444 0.76 SMN1; SMN2 (0.33) SMN1; SMN2SLC7A5
SCHEMBL27357648 0.76 TSHR (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL4340308 0.75 SLC7A5 (0.44) ALOX15CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1235898-C Cyclohexenedioxythiochromanoyl derivatives BASF AG (DE) 2006-01-11 CN disclosed
CN-1149200-C 2-[(dihydro)pyrazole-3'-oxymethylene] aniline amide and its preparation and use �����ɷ� 2004-05-12 CN disclosed
CN-1149216-C Tricyclic Benzoylcyclohexanedione Derivatives �����ɷ� 2004-05-12 CN disclosed
CN-1364161-A N-substituted perhydrodiazines BASF AG (DE) 2002-08-14 CN disclosed
CN-1308065-A 2-[(dihydro)pyrazole-3'-oxymethylene] aniline amide and its preparation and use BASF AG (DE) 2001-08-15 CN disclosed
CN-1068313-C Amide of 2- [ (dihydro) pyrazole-3' -oxymethylene ] aniline, preparation method and application thereof BASF AG (DE) 2001-07-11 CN disclosed
CN-1066137-C Alpha-phenylbutenic acid methyl esters BASF AG (DE) 2001-05-23 CN disclosed
CN-1166828-A 2-(4-biphenyl-oxymethlene) anilides, process and intermediate products for preparing the same and their use as pesticides BASF AG (DE) 1997-12-03 CN disclosed
CN-1154692-A Amide of 2- [ (dihydro) pyrazole-3' -oxymethylene ] aniline, preparation method and application thereof BASF AG (DE) 1997-07-16 CN disclosed
CN-1150800-A Alpha-phenylbutenic acid methyl ester BASF AG (DE) 1997-05-28 CN disclosed
CN-1098713-A The ortho-ethenylphenylacetic acid derivatives that replaces BASF AG (DE) 1995-02-15 CN disclosed