SCHEMBL9407404

SCHEMBL9407404

COc1cc(OC)nc(OC(CO)C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 15/20 0.40
EDNRA P25101 15/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9412043 0.90 EDNRB (0.40) EDNRBEDNRALMNATDP1
SCHEMBL12095294 0.79 L3MBTL1 (0.37) EDNRBEDNRAL3MBTL1LMNA
SCHEMBL14298980 0.76 L3MBTL1 (0.46) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL6335452 0.75 L3MBTL1 (0.48) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL12095242 0.73 EDNRB (0.36) EDNRBEDNRAL3MBTL1LMNA
SCHEMBL12095283 0.73 EDNRB (0.42) EDNRBEDNRAL3MBTL1
SCHEMBL12095275 0.71 HTT (0.45) EDNRBEDNRA
SCHEMBL14325441 0.71 EDNRB (0.52) EDNRBEDNRALMNATDP1
SCHEMBL7825117 0.71 EDNRB (0.52) EDNRBEDNRALMNATDP1
SCHEMBL14298965 0.71 EDNRB (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6293743-A None JP disclosed
JP-H06293743-A HERBICIDAL PYRIMIDINYLOXY/TRIAZIINYLOXYALKANOL DERIVATIVE NIPPON BAYERAGROCHEM KK 1994-10-21 JP disclosed
EP-0611759-A1 Pyrimidinyloxy/triazinyloxy alkanol derivatives and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-08-24 EP disclosed