SCHEMBL3670018

SCHEMBL3670018

CC(=CCCCN(C)C)C(N)=O.CC(=CCCCN(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HRH4 Q9H3N8 2/20 0.34
CYP1A2 P05177 1/20 0.34
HRH2 P25021 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PAOX Q6QHF9 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
CBLB Q13191 1/20 0.31
KDM4E B2RXH2 2/20 0.30
KDM4A O75164 4/20 0.30
KDM4C Q9H3R0 4/20 0.30
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL36879 1.00 USP2 (0.37) USP2ALDH1A1HRH4CYP1A2HRH2
SCHEMBL3670015 1.00 USP2 (0.37) USP2ALDH1A1HRH4CYP1A2HRH2
SCHEMBL33998 1.00 USP2 (0.37) USP2ALDH1A1HRH4CYP1A2HRH2
Hydrochloric Acid SCHEMBL153918 0.98 USP2 (0.36) USP2ALDH1A1HRH4CYP1A2HRH2
Hydrochloric Acid SCHEMBL8410448 0.98 USP2 (0.36) USP2ALDH1A1HRH4CYP1A2HRH2
Bromide SCHEMBL3232032 0.98 USP2 (0.36) USP2ALDH1A1HRH4CYP1A2HRH2
Acetic Acid SCHEMBL9438315 0.96 USP2 (0.36) USP2ALDH1A1HRH4CYP1A2HRH2
SCHEMBL3295908 0.94 ALDH1A1 (0.37) USP2ALDH1A1HRH4CYP1A2HRH2
SCHEMBL3108917 0.94 ALDH1A1 (0.37) USP2ALDH1A1HRH4CYP1A2HRH2
Sulfuric Acid SCHEMBL5663688 0.93 PAOX (0.34) USP2ALDH1A1HRH4CYP1A2HRH2

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
JP-4541702-B2 2010-09-08 JP claimed
US-20060160950-A1 Pigment compositions with modified ATRP copolymer dispersants AUSCHRA CLEMENS 2006-07-20 US claimed
US-20050004317-A1 Pigment compositions with modified atrp copolymer dispersants CIBA SPECIALTY CHEMICALS CORP. 2005-01-06 US claimed
EP-1465935-A1 PIGMENT COMPOSITIONS WITH MODIFIED ATRP COPOLYMER DISPERSANTS Ciba SC Holding AG (CH) 2004-10-13 EP claimed
WO-2003046029-A1 PIGMENT COMPOSITIONS WITH MODIFIED ATRP COPOLYMER DISPERSANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-06-05 WO claimed