SCHEMBL6933418

SCHEMBL6933418

CC(Cl)C(=O)O.CCCNC(=O)/C(C)=C(/C)N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
PAOX Q6QHF9 1/20 0.30
MCL1 Q07820 1/20 0.30
ANPEP P15144 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
DNPEP Q9ULA0 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
Chloromethane SCHEMBL4631102 0.86 MMP1 (0.38) PLA2G4AKDM4CMMP1MMP2MMP3
SCHEMBL36267 0.86 MMP1 (0.40) PLA2G4AKDM4CMMP1MMP2MMP3
Hydrochloric Acid SCHEMBL2066264 0.84 MMP1 (0.39) PLA2G4AKDM4CMMP1MMP2MMP3
Acetone SCHEMBL10451495 0.82 MCL1 (0.39) PLA2G4AKDM4CMMP1MMP2MMP3
Sulfuric Acid SCHEMBL2065285 0.79 EPHX1 (0.38) PLA2G4AKDM4CMMP1MMP2MMP3
Acrylamide SCHEMBL11143542 0.76 ALDH1A1 (0.39) PLA2G4AKDM4CMMP1MMP2MMP3
SCHEMBL994218 0.74 EPHX1 (0.47) PLA2G4AMMP2EPHX1DPP7
(Chloromethyl)Benzene SCHEMBL21631044 0.74 CYP1A2 (0.41) SMN1; SMN2KDM4EANPEPRNPEPDNPEP
SCHEMBL7129427 0.74 MMP1 (0.40) KDM4CMMP1MMP2MMP3MMP9
SCHEMBL2066063 0.73 EPHX1 (0.34) MMP1MMP2MMP3MMP9EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6590051-B1 Polyampholytes used to increase retention and drainage in fiber suspensions or pulps used in papermaking; clarification ONDEO NALCO COMPANY 2003-07-08 US disclosed
US-6313246-B1 UNSATURATED QUATERNARY AMMONIUM OR SULFONIUM SALT AND NONIONIC MONOMERS ; WATER IN OIL EMULSION, DISPERSION OR GEL; PAPERMAKING NALCO CHEMICAL COMPANY 2001-11-06 US disclosed