SCHEMBL2139586

SCHEMBL2139586

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
PSMB5 P28074 2/20 0.35
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
CYP3A4 P08684 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL14880 0.91
Ammonia Solution, Strong SCHEMBL28481040 0.88 ZDHHC20 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1
Propane SCHEMBL10501126 0.85 ALDH1A1 (0.43) ZDHHC20ZDHHC2ALDH1A1TSHRLMNA
SCHEMBL28084768 0.84 ZDHHC20 (0.39) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1
Acrylic Acid SCHEMBL11417537 0.84 LMNA (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1
SCHEMBL15015 0.83
SCHEMBL26688132 0.82 ZDHHC20 (0.35) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1
Acrolein SCHEMBL3847493 0.82 ZDHHC20 (0.40) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1
Acrylamide SCHEMBL11604081 0.82 ALDH1A1 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1
SCHEMBL2004205 0.81 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016055814-A1 GEL FUEL AIR GLOBAL LIMITED (GB) 2016-04-14 WO claimed
US-7863388-B2 Preparation of functionalized cationic polymers and their application in personal care BASF SE (DE) 2011-01-04 US claimed
US-20070185281-A1 Preparation of functionalized cationic polymers & their application in personal care BASF SE (DE) 2007-08-09 US claimed
US-11230647-B2 Photocurable clear ink composition for inkjet printing SAKATA INX CORPORATION (JP) 2022-01-25 US disclosed
EP-3498789-A1 PHOTOCURABLE CLEAR INK COMPOSITION FOR INKJET PRINTING Sakata INX Corporation (JP) 2019-06-19 EP disclosed
US-20190169454-A1 PHOTOCURABLE CLEAR INK COMPOSITION FOR INKJET PRINTING SAKATA INX CORPORATION (JP) 2019-06-06 US disclosed
WO-2016055814-A1 GEL FUEL AIR GLOBAL LIMITED (GB) 2016-04-14 WO disclosed
US-7863388-B2 Preparation of functionalized cationic polymers and their application in personal care BASF SE (DE) 2011-01-04 US disclosed
EP-1948700-A2 PREPARATION OF FUNCTIONALIZED CATIONIC POLYMERS AND THEIR PREPARATION AND APPLICATION IN PERSONAL CARE Ciba Holding Inc. (CH) 2008-07-30 EP disclosed
US-20070185281-A1 Preparation of functionalized cationic polymers & their application in personal care BASF SE (DE) 2007-08-09 US disclosed
WO-2007054468-A2 PREPARATION OF FUNCTIONALIZED CATIONIC POLYMERS AND THEIR PREPARATION AND APPLICATION IN PERSONAL CARE CIBA HOLDING INC. (CH) 2007-05-18 WO disclosed
US-20050079506-A1 Filled, biological microarray and method for use EASTMAN KODAK COMPANY 2005-04-14 US disclosed