SCHEMBL11210696

SCHEMBL11210696

CC1(C)c2cc(C#N)ccc2OC1OC(=O)CCl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.38
ABCC9 O60706 5/20 0.37
KDM4E B2RXH2 1/20 0.36
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KCND3 Q9UK17 1/20 0.34
ALOX15 P16050 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL11444447 0.89 ABCB1 (0.39) ABCB1ABCC9KDM4EKCNE1KCNQ1
SCHEMBL11451772 0.87 KCNE1 (0.38) ABCB1ABCC9KDM4EKCNE1KCNQ1
SCHEMBL11444446 0.86 KDM4E (0.42) ABCB1ABCC9KDM4ECYP3A4CYP1A2
SCHEMBL11443884 0.86 ABCB1 (0.38) ABCB1KDM4E
SCHEMBL11453216 0.85 KCNE1 (0.38) ABCB1ABCC9KDM4EKCNE1KCNQ1
SCHEMBL11453213 0.82 KDM4E (0.39) ABCB1ABCC9KDM4ECYP3A4ALOX15
SCHEMBL11461367 0.82 ABCB1 (0.40) ABCB1ABCC9
SCHEMBL11461364 0.81 KDM4E (0.36) ABCB1ABCC9KDM4ECYP1A2CYP2D6
SCHEMBL11444000 0.78 ABCB1 (0.38) ABCB1ABCC9KDM4ECYP1A2CYP2D6
SCHEMBL11443852 0.77 CXCR1 (0.40) ABCB1ABCC9KDM4ECYP3A4MEN1

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-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP claimed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed