SCHEMBL3756251

SCHEMBL3756251

C=C(CCC=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
GLO1 Q04760 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 2/20 0.39
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL410005 0.84 ALDH1A1 (0.42) ALDH1A1TSHRCYP2D6CYP2C19MAPT
SCHEMBL14533248 0.83 ALDH1A1 (0.52) ALDH1A1TSHRCYP2D6CYP2C19MAPT
SCHEMBL28466315 0.81 FAAH (0.47) ALDH1A1TSHRCYP2D6CYP2C19MAPT
SCHEMBL7561749 0.81 CYP2D6 (0.47) ALDH1A1TSHRCYP2D6CYP2C19NPSR1
SCHEMBL14718060 0.80 TSHR (0.54) ALDH1A1TSHRNPSR1FAAH
SCHEMBL5437325 0.79 ALDH1A1 (0.41) ALDH1A1TSHRLMNAEGLN1
SCHEMBL6382743 0.79 FAAH (0.53) ALDH1A1TSHRCYP2D6MAPTNPSR1
SCHEMBL3766346 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP2D6CYP2C19MAPT
SCHEMBL6023253 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP2D6MAPTNPSR1
SCHEMBL7983922 0.79 ALDH1A1 (0.48) ALDH1A1TSHRMAPTNPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195389-A1 A METHOD TO IMPROVE THE COLOR ACCEPTANCE OF VISCOSITY STABILIZED LATEX PAINTS Elementis Specialties, Inc. (US) 2010-06-16 EP disclosed
WO-2009046131-A1 A METHOD TO IMPROVE THE COLOR ACCEPTANCE OF VISCOSITY STABILIZED LATEX PAINTS ELEMENTIS SPECIALTIES, INC. (US) 2009-04-09 WO disclosed
US-20090088516-A1 METHOD TO IMPROVE THE COLOR ACCEPTANCE OF VISCOSITY STABILIZED LATEX PAINTS ELEMENTIS SPECIALTIES, INC. 2009-04-02 US disclosed