SCHEMBL3515543

SCHEMBL3515543

O=C(CC(O)C(=O)OC(=O)c1ccccc1)ON1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.36
KMT2A Q03164 4/20 0.36
HIF1A Q16665 2/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PRKCA P17252 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
F2 P00734 1/20 0.34
TSHR P16473 3/20 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
SCHEMBL697737 0.81 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL697738 0.77 ALDH1A1 (0.53) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL28059255 0.75 ALDH1A1 (0.51) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL1232166 0.75 LMNA (0.50) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL3390 0.72 ALDH1A1 (0.55) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL11864466 0.70 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL670258 0.68 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL582331 0.68 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL420405 0.68 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AHIF1AMAPK1
SCHEMBL1162598 0.68 ALDH1A1 (0.57) ALDH1A1TDP1KMT2AHIF1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324469-A1 DRUG PRODUCT, A METHOD OF ADMINISTRATING A VACCINE USING THE DRUG PRODUCT, AND AN APPARATUS FOR IONTOPHORESIS JOSAI UNIVERSITY CORPORATION (JP) 2010-12-23 US disclosed
EP-2196212-A1 PREPARATION AND METHOD OF ADMINISTERING VACCINE AND IONTOPHORESIS DEVICE USING THE PREPARATION Josai University Corporation (JP) 2010-06-16 EP disclosed