SCHEMBL14848909

SCHEMBL14848909

CN(c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AOC3 Q16853 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL19879702 0.87 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL22681610 0.85 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15981868 0.82 MAPT (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15981857 0.82 MAPT (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL21600799 0.80 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL16340275 0.79 HPGD (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL16340696 0.79 EGFR (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL25541795 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL16222297 0.77 LMNA (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12909341 0.76 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A

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-20130090469-A1 GREEN ZINC PORPHYRIN SENSITIZERS AND THEIR APPLICATIONS NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-04-11 US disclosed