SCHEMBL4728651

SCHEMBL4728651

C=C(NC(=O)OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
SOAT1 P35610 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL7713280 0.82 GAA (0.55) GAAALOX15MGAMSIMGAM2
SCHEMBL9659162 0.81
SCHEMBL23063594 0.79 GAA (0.42) GAAALOX15MGAMSIMGAM2
SCHEMBL2102312 0.79
SCHEMBL4337600 0.78
SCHEMBL4955174 0.77 ALDH1A1 (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8928249 0.77 ALDH1A1 (0.45) GAAALOX15MGAMSIMGAM2
SCHEMBL357937 0.77 ALDH1A1 (0.49) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL132384 0.77 GAA (0.41) GAAALOX15MGAMSIMGAM2
SCHEMBL697911 0.77

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
EP-1277463-B1 Foaming composition of silica and cationic polymer OREAL (FR) 2008-01-02 EP claimed
EP-1277463-A1 Foaming composition of silica and cationic polymer L'OREAL (FR) 2003-01-22 EP claimed
EP-1172095-B1 Cleansing cosmetic composition OREAL (FR) 2002-10-02 EP claimed
EP-1174122-A1 Cleansing cosmetic composition L'OREAL (FR) 2002-01-23 EP claimed
EP-1172095-A1 Cleansing cosmetic composition L'OREAL (FR) 2002-01-16 EP claimed
EP-1277463-B2 Foaming composition of silica and cationic polymer ORÉAL L (FR) 2014-08-13 EP disclosed
EP-1174122-B1 Cleansing cosmetic composition OREAL (FR) 2012-06-13 EP disclosed
EP-1277463-B1 Foaming composition of silica and cationic polymer OREAL (FR) 2008-01-02 EP disclosed
EP-1277463-A1 Foaming composition of silica and cationic polymer L'OREAL (FR) 2003-01-22 EP disclosed
EP-1172095-B1 Cleansing cosmetic composition OREAL (FR) 2002-10-02 EP disclosed
EP-1174122-A1 Cleansing cosmetic composition L'OREAL (FR) 2002-01-23 EP disclosed
EP-1172095-A1 Cleansing cosmetic composition L'OREAL (FR) 2002-01-16 EP disclosed