SCHEMBL3379701

SCHEMBL3379701

COC(=O)[C@@H](N)CCOC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
TSHR P16473 1/20 0.39
GALR3 O60755 2/20 0.38

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
SCHEMBL21101262 1.00 ALOX15 (0.42) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL23419880 0.83 SLC1A1 (0.39) SMN1; SMN2SLC1A1LTA4HNOS3NOS1
SCHEMBL6983472 0.83 SLC1A1 (0.39) SMN1; SMN2SLC1A1LTA4HNOS3NOS1
SCHEMBL8348754 0.83 SLC1A1 (0.39) SMN1; SMN2SLC1A1LTA4HNOS3NOS1
SCHEMBL11776470 0.82 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2TSHRSLC1A1LTA4H
SCHEMBL302495 0.81 NOS3 (0.51) ALOX15TSHRSLC1A1NOS3NOS1
Hydrochloric Acid SCHEMBL29262795 0.81 SLC1A1 (0.38) ALDH1A1SMN1; SMN2SLC1A1LTA4HNOS3
SCHEMBL180571 0.81 NOS3 (0.51) ALOX15TSHRSLC1A1NOS3NOS1
Hydrochloric Acid SCHEMBL29262798 0.81 SLC1A1 (0.38) ALDH1A1SMN1; SMN2SLC1A1LTA4HNOS3
SCHEMBL27193091 0.80 ALOX15 (0.40) ALOX15ALDH1A1CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399214-B2 Use of dimethyl disulfide for methionine production in microoraganisms EVONIK DEGUSSA GMBH (DE) 2013-03-19 US disclosed
EP-1907558-B1 USE OF DIMETHYL DISULFIDE FOR METHIONINE PRODUCTION IN MICROORGANISMS EVONIK DEGUSSA GMBH (DE) 2010-11-24 EP disclosed
US-20090281353-A1 Use of dimethyl disulfide for methionine production in microoragnisms BASF AG (DE) 2009-11-12 US disclosed
EP-1907558-A2 USE OF DIMETHYL DISULFIDE FOR METHIONINE PRODUCTION IN MICROORGANISMS BASF SE (DE) 2008-04-09 EP disclosed
WO-2007011939-A2 USE OF DIMETHYL DISULFIDE FOR METHIONINE PRODUCTION IN MICROORGANISMS BASF AG (DE) 2007-01-25 WO disclosed