SCHEMBL8445211

SCHEMBL8445211

CCN(CC)CCC=C(C)C(=O)OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM1 P11229 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
ACHE P22303 1/20 0.31
PTGS1 P23219 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL4386622 0.84 CHRM2 (0.32) PAOXCYP2D6CYP2C19ALDH1A1CHRM1
SCHEMBL28646355 0.84 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1CHRM1CYP1A2
SCHEMBL12488315 0.82 ALDH1A1 (0.44) CYP2D6CYP2C19ALDH1A1
SCHEMBL10466558 0.81 ALDH1A1 (0.33) ALDH1A1CHRM1CHRM2CHRM4CHRM5
SCHEMBL10466560 0.81 ALDH1A1 (0.33) ALDH1A1CHRM1CHRM2CHRM4CHRM5
SCHEMBL5148199 0.81 ALDH1A1 (0.33) PAOXCYP2D6CYP2C19ALDH1A1CHRM1
SCHEMBL2515654 0.81 CYP2D6 (0.35) CYP2D6CYP2C19CHRM1CHRM2CHRM4
SCHEMBL5447587 0.80 CHRM1 (0.32) CYP2D6CYP2C19CHRM1CHRM2CHRM4
SCHEMBL15637278 0.80 CYP2D6 (0.34) CYP2D6CYP2C19ALDH1A1
Ammonia Solution, Strong SCHEMBL29173767 0.79 BCL2L1 (0.33) PAOXCYP2D6CYP2C19ALDH1A1CHRM1

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-0804474-B1 IDENTIFICATION, QUANTITATION AND PURIFICATION OF INSECTICIDAL PROTEINS FROM BACILLUS THURINGIENSIS CA NAT RESEARCH COUNCIL (CA) 1999-03-03 EP claimed
EP-0804474-A1 IDENTIFICATION, QUANTITATION AND PURIFICATION OF INSECTICIDAL PROTEINS FROM BACILLUS THURINGIENSIS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1997-11-05 EP claimed
US-5523211-A SUBJECTING TO HYDROLYSIS WITH A PROTEOLYTIC ENZYME AND TO HIGH PERFORMANCE ANION-EXCHANGE LIQUID CHROMATOGRAPHY HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-06-04 US claimed
WO-1995035317-A1 IDENTIFICATION, QUANTITATION AND PURIFICATION OF INSECTICIDAL PROTEINS FROM BACILLUS THURINGIENSIS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1995-12-28 WO claimed
US-5356788-A Hydrolusis, liquid chromatographic analysis of Bacillus protoxins HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1994-10-18 US claimed
CN-103038419-B Method of increasing filler content in papermaking NALCO CO 2015-04-29 CN disclosed
CN-103038419-A Method of increasing filler content in papermakinG NALCO CO 2013-04-10 CN disclosed
EP-0804474-B1 IDENTIFICATION, QUANTITATION AND PURIFICATION OF INSECTICIDAL PROTEINS FROM BACILLUS THURINGIENSIS CA NAT RESEARCH COUNCIL (CA) 1999-03-03 EP disclosed
US-5523211-A SUBJECTING TO HYDROLYSIS WITH A PROTEOLYTIC ENZYME AND TO HIGH PERFORMANCE ANION-EXCHANGE LIQUID CHROMATOGRAPHY HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-06-04 US disclosed
US-5356788-A Hydrolusis, liquid chromatographic analysis of Bacillus protoxins HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1994-10-18 US disclosed