SCHEMBL2555490

SCHEMBL2555490

C=COCCN.C=COCCN(C)C

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNA4 P43681 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL136974 0.89
Dimethylamine SCHEMBL6688002 0.82 PRMT3 (0.35) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL94899 0.81
Hydrochloric Acid SCHEMBL9443697 0.78
Water SCHEMBL6141043 0.78
SCHEMBL8666098 0.76
SCHEMBL14883124 0.76 CA12 (0.50)
Acrylic Acid SCHEMBL8369467 0.75 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL329408 0.75
SCHEMBL329227 0.73 ALDH1A1 (0.46)

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
EP-2555747-A2 A COMBINATION OF CROSSLINKED CATIONIC POLYMER AND AMPHOLYTIC POLYMER FOR PERSONAL AND HOUSEHOLD APPLICATIONS Lubrizol Advanced Materials, Inc. (US) 2013-02-13 EP claimed
WO-2011127364-A2 A COMBINATION OF CROSSLINKED CATIONIC AND AMPHOLYTIC POLYMERS FOR PERSONAL AND HOUSEHOLD APPLICATIONS LUBRIZOL ADVANCED MATERIALS, INC. (US) 2011-10-13 WO claimed