SCHEMBL3360262

SCHEMBL3360262

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PLK1 P53350 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
PADI4 Q9UM07 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL3360258 0.93 ALDH1A1 (0.40) LMNAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL2458344 0.84 KDM4E (0.32) ALDH1A1KDM4EHSD17B10CYP1A2MAPK1
SCHEMBL4240233 0.80 LMNA (0.38) LMNACYP1A2CYP2C9
SCHEMBL17211742 0.73 SMN1; SMN2 (0.32) LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3556725 0.69 LMNA (0.42) LMNAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6860418 0.69 RXRA (0.30)
SCHEMBL6848306 0.68 KDM4E (0.50) LMNAALDH1A1KDM4EHSD17B10TSHR
Potassium Ion SCHEMBL7064631 0.66 KDM4C (0.44) LMNAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL6848305 0.66 KDM4E (0.56) LMNAALDH1A1KDM4EHSD17B10TSHR
SCHEMBL14525955 0.66 HSD17B10 (0.47) LMNAALDH1A1KDM4EHSD17B10TSHR

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 1 patent. 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