SCHEMBL3360258

SCHEMBL3360258

COC(=O)c1[nH]c(C(=O)OC)c2c1OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
CHRM3 P20309 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PLK1 P53350 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL3360262 0.93 LMNA (0.38) ALDH1A1KDM4ETSHRL3MBTL1KDM4C
SCHEMBL2458344 0.73 KDM4E (0.32) ALDH1A1KDM4EHSD17B10MAPK1HTT
Potassium Ion SCHEMBL7064631 0.71 KDM4C (0.44) ALDH1A1KDM4ETSHRL3MBTL1KDM4C
SCHEMBL14525955 0.71 HSD17B10 (0.47) ALDH1A1KDM4ETSHRHSD17B10LMNA
SCHEMBL6848305 0.71 KDM4E (0.56) ALDH1A1KDM4ETSHRHSD17B10LMNA
SCHEMBL29215380 0.70 NPSR1 (0.53) ALDH1A1KDM4ETSHRL3MBTL1KDM4C
SCHEMBL3550773 0.70
SCHEMBL30483935 0.70 NPSR1 (0.50) ALDH1A1KDM4ETSHRL3MBTL1KDM4C
SCHEMBL7064630 0.69 NPSR1 (0.52) ALDH1A1KDM4ETSHRL3MBTL1KDM4C
SCHEMBL7063919 0.69 NPSR1 (0.52) ALDH1A1KDM4ETSHRL3MBTL1KDM4C

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-20100124702-A1 High Energy Composite Cathodes for Lithium Ion Batteries PHYSICAL SCIENCES, INC. (US) 2010-05-20 US disclosed
US-20100124702-A1 High Energy Composite Cathodes for Lithium Ion Batteries PHYSICAL SCIENCES, INC. (US) 2010-05-20 US disclosed