SCHEMBL4413845

SCHEMBL4413845

CN(C)CCOC(=O)CC(=O)OCCN(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60
CHRNB2 P17787 1/20 0.60
CHRM3 P20309 1/20 0.60
CHRNA4 P43681 1/20 0.60
DNM1 Q05193 1/20 0.57
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL11039555 0.89 CHRM1 (0.54) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL7346742 0.89 CHRM2 (0.54) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL5382868 0.85 DNM1 (0.62) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL3038090 0.85 DNM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL19622446 0.85 CHRM1 (0.50) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL7352582 0.85 DNM1 (0.53) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL2519895 0.84 DNM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL10898610 0.83 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL7347526 0.83 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRNB2
SCHEMBL13584173 0.83 CHRM2 (0.48) CHRM1CHRM2CHRM4CHRM5CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050762-B1 PROCESS FOR THE PREPARATION OF VINYLCYCLOPROPANE DERIVATIVES NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1984-06-13 EP claimed
EP-0050762-A1 Process for the preparation of vinylcyclopropane derivatives NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1982-05-05 EP claimed
US-4328168-A Process for the preparation of vinylcyclopropane derivatives EMERY INDUSTRIES, INC. (US) 1982-05-04 US claimed
US-4328169-A Process for the preparation of vinylcyclopropane derivatives EMERY INDUSTRIES, INC. (US) 1982-05-04 US claimed
EP-0025846-A1 Improved process for the preparation of vinylcyclopropane derivatives NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1981-04-01 EP claimed
US-4252739-A ALKYLATING AGENT SUCH AS 1,4-DIHALO-2-BUTENE, AN ACTIVE METHYLENE COMPOUND, A CATALYTIC ONIUM COMPOUND, AN ALKALI METAL COMPOUND AND WATER; ONE STEP EMERY INDUSTRIES, INC. (US) 1981-02-24 US claimed
CN-101745290-B Mixed ionic liquid solution special for absorbing SO2 gas and preparation method thereof JIANGSU BEST ENVIRONMENT PROT CO LTD 2012-08-22 CN disclosed
CN-101745290-A Mixed ionic liquid solution special for absorbing SO2 gas and preparation method thereof JIANGSU BEST ENVIRONMENT PROT 2010-06-23 CN disclosed
EP-1603527-B1 TERPENOID FRAGRANCE COMPONENTS STABILIZED WITH MALONIC ACID SALTS UNILEVER PLC (GB) 2009-02-04 EP disclosed
EP-0050762-B1 PROCESS FOR THE PREPARATION OF VINYLCYCLOPROPANE DERIVATIVES NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1984-06-13 EP disclosed
EP-0025846-B1 IMPROVED PROCESS FOR THE PREPARATION OF VINYLCYCLOPROPANE DERIVATIVES NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1984-03-07 EP disclosed
EP-0050762-A1 Process for the preparation of vinylcyclopropane derivatives NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1982-05-05 EP disclosed
US-4328168-A Process for the preparation of vinylcyclopropane derivatives EMERY INDUSTRIES, INC. (US) 1982-05-04 US disclosed
US-4328169-A Process for the preparation of vinylcyclopropane derivatives EMERY INDUSTRIES, INC. (US) 1982-05-04 US disclosed
EP-0025846-A1 Improved process for the preparation of vinylcyclopropane derivatives NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1981-04-01 EP disclosed
US-4252739-A ALKYLATING AGENT SUCH AS 1,4-DIHALO-2-BUTENE, AN ACTIVE METHYLENE COMPOUND, A CATALYTIC ONIUM COMPOUND, AN ALKALI METAL COMPOUND AND WATER; ONE STEP EMERY INDUSTRIES, INC. (US) 1981-02-24 US disclosed