SCHEMBL9412043

SCHEMBL9412043

CC(=O)OC(C)=O.COc1cc(OC)nc(OC(CO)C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.40
EDNRA P25101 14/20 0.40
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9407404 0.90 EDNRB (0.40) EDNRBEDNRALMNATDP1
SCHEMBL14298965 0.73 EDNRB (0.46) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL14298973 0.73 EDNRB (0.46) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL27405573 0.72 EDNRB (0.48) EDNRBEDNRACYP1A2LMNATDP1
SCHEMBL12095294 0.71 L3MBTL1 (0.37) EDNRBEDNRALMNASMN1; SMN2
SCHEMBL7825117 0.70 EDNRB (0.52) EDNRBEDNRALMNATDP1
SCHEMBL14325441 0.70 EDNRB (0.52) EDNRBEDNRALMNATDP1
SCHEMBL9361215 0.69 EDNRB (0.55) EDNRBEDNRALMNATDP1
SCHEMBL14325404 0.69 EDNRB (0.55) EDNRBEDNRALMNATDP1
SCHEMBL14325403 0.69 EDNRB (0.55) EDNRBEDNRALMNATDP1

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
EP-0611759-A1 Pyrimidinyloxy/triazinyloxy alkanol derivatives and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-08-24 EP disclosed