SCHEMBL9367576

SCHEMBL9367576

COc1nc(OC)nc(OC(C(=O)O)C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.46
EDNRA P25101 19/20 0.46
NR1I2 O75469 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
POLB P06746 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
SCHEMBL9367683 0.83 EDNRB (0.66) EDNRBEDNRA
SCHEMBL9372708 0.82 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8943528 0.80 EDNRB (0.50) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9367122 0.79 EDNRB (0.61) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9367453 0.75 EDNRB (0.44) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7398261 0.71 EDNRB (0.73) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9119578 0.70 EDNRB (0.65) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9459188 0.70 EDNRB (0.63) EDNRBEDNRA
SCHEMBL8943534 0.69 EDNRB (0.41) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9373008 0.68 EDNRB (0.60) EDNRBEDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347811-B1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-03-30 EP disclosed
US-5087289-A ALKANOIC ACID DERIVATIVES AND HERBICIDAL COMPOSITIONS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-11 US disclosed
US-4968340-A PREEMERGENCE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-06 US disclosed
EP-0347811-A1 Alkanoic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-12-27 EP disclosed