SCHEMBL9367122

SCHEMBL9367122

Cc1cc(C)nc(OC(C(=O)O)C(C)(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.61
EDNRA P25101 16/20 0.61
NR1I2 O75469 1/20 0.61
KCNE1 P15382 1/20 0.61
KCNQ1 P51787 1/20 0.61
POLB P06746 1/20 0.61
KMT2A Q03164 2/20 0.51

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
SCHEMBL9371781 0.83 EDNRB (0.51) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL4197423 0.82 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL4197434 0.82 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9367683 0.80 EDNRB (0.66) EDNRBEDNRA
SCHEMBL9372708 0.79 EDNRB (0.64) EDNRBEDNRA
SCHEMBL9367576 0.79 EDNRB (0.46) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL13215612 0.79 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL10316293 0.79 EDNRB (0.71) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7651729 0.78 EDNRB (0.51) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL9723564 0.77 EDNRB (0.48) EDNRBEDNRANR1I2KCNE1KCNQ1

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