SCHEMBL15512175

SCHEMBL15512175

CC(O)CCOC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 7/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 6/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
ACLY P53396 2/20 0.33
CPT2 P23786 1/20 0.33
SLC13A5 Q86YT5 4/20 0.33
MEN1 O00255 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
KMT2A Q03164 3/20 0.32
TP53 P04637 2/20 0.32
CYP2C9 P11712 2/20 0.32
MAPK1 P28482 2/20 0.32
GMNN O75496 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL6156085 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL28495434 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL425327 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL489813 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL15512440 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL28496977 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL426934 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL22431276 0.81 CYP19A1 (0.34) CYP19A1ADRA1A
SCHEMBL17812684 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL17812604 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed