SCHEMBL2743750

SCHEMBL2743750

CCOC(=O)COC(=O)C=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
NLRP3 Q96P20 6/20 0.36
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4412 0.86
SCHEMBL28285089 0.84
Alcohol SCHEMBL28357108 0.82 HCAR2 (0.43) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL28563384 0.80 HCAR2 (0.47) GAAMGAMSIMGAM2ALDH1A1
Methylene Chloride SCHEMBL27697374 0.80 HCAR2 (0.42) GAAMGAMSIMGAM2ALDH1A1
1,2-Dichloroethane SCHEMBL28431339 0.78 HCAR2 (0.41) GAAMGAMSIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL10781172 0.78 ALDH1A1 (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6517132 0.77 HCAR2 (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28343786 0.77 HCAR2 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL6519747 0.75 HCAR2 (0.61) GAAMGAMSIMGAM2ALDH1A1

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-8178384-B1 Interfacial architecture for nanostructured optoelectronic devices NANOSOLAR, INC. (US) 2012-05-15 US disclosed
US-7511217-B1 Inter facial architecture for nanostructured optoelectronic devices NANOSOLAR, INC. (US) 2009-03-31 US disclosed