SCHEMBL1626697

SCHEMBL1626697

CCCCC(CC)COCC(O)CN(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
CA2 P00918 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL14278859 0.91 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL1629758 0.90 CYP3A4 (0.43) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL17816459 0.87 CYP3A4 (0.43) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL8281048 0.84 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRKDM4EMAPK1
SCHEMBL13844250 0.83 CYP3A4 (0.40) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL101962 0.82 CYP3A4 (0.56) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL9928018 0.81 CYP3A4 (0.48) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL19462801 0.80 ALDH1A1 (0.55) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL27595598 0.80 ALDH1A1 (0.55) CYP3A4ALDH1A1TDP1TSHRATM
SCHEMBL99276 0.80 ALDH1A1 (0.55) CYP3A4ALDH1A1TDP1TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7318843-B2 Fabric care composition and method for using same THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US claimed
US-20110093246-A1 Modeling Systems for Consumer Goods STANTON DAVID THOMAS 2011-04-21 US disclosed
EP-2013826-A2 MODELING SYSTEMS FOR CONSUMER GOODS The Procter and Gamble Company (US) 2009-01-14 EP disclosed
US-20080040082-A1 Modeling systems for consumer goods THE PROCTER & GAMBLE COMPANY 2008-02-14 US disclosed
US-20080027575-A1 Modeling systems for health and beauty consumer goods PROCTER & GAMBLE COMPANY, THE 2008-01-31 US disclosed
US-7318843-B2 Fabric care composition and method for using same THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed
US-7318843-B2 Fabric care composition and method for using same THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed
US-7318843-B2 Fabric care composition and method for using same THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed
US-7300593-B2 Process for purifying a lipophilic fluid THE PROCTER & GAMBLE COMPANY (US) 2007-11-27 US disclosed
US-7300593-B2 Process for purifying a lipophilic fluid THE PROCTER & GAMBLE COMPANY (US) 2007-11-27 US disclosed
US-7300594-B2 Process for purifying a lipophilic fluid by modifying the contaminants THE PROCTER & GAMBLE COMPANY (US) 2007-11-27 US disclosed
US-7300594-B2 Process for purifying a lipophilic fluid by modifying the contaminants THE PROCTER & GAMBLE COMPANY (US) 2007-11-27 US disclosed
WO-2007122582-A2 MODELING SYSTEMS FOR CONSUMER GOODS THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed
US-20060213015-A1 Method for treating hydrophilic stains in a lipophilic fluid system GARDNER ROBB R 2006-09-28 US disclosed
EP-1639183-A2 FABRIC ARTICLE TREATMENT COMPOSITION FOR USE IN A LIPOPHILIC FLUID SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2006-03-29 EP disclosed
EP-1639186-A1 FABRIC CARE COMPOSITION AND METHOD OF USING SAME THE PROCTER & GAMBLE COMPANY (US) 2006-03-29 EP disclosed
WO-2005003435-A2 FABRIC ARTICLE TREATMENT COMPOSITION FOR USE IN A LIPOPHILIC FLUID SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 WO disclosed
WO-2005003438-A1 FABRIC CARE COMPOSITION AND METHOD OF USING SAME THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 WO disclosed
US-20050003981-A1 Fabric care composition and method for using same THE PROCTER & GAMBLE COMPANY 2005-01-06 US disclosed