SCHEMBL11210703

SCHEMBL11210703

CC(=O)OC1(Cl)Oc2ccc(C#N)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ABCC9 O60706 6/20 0.38
ABCB1 P08183 10/20 0.37
AR P10275 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36

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
SCHEMBL11444446 0.68 KDM4E (0.42) KDM4ECYP3A4ALOX15ABCC9ABCB1
SCHEMBL11216758 0.66 ABCB1 (0.39) KDM4EABCC9ABCB1ABCC8KCNJ11
SCHEMBL11219476 0.65 ABCB1 (0.39) KDM4EABCC9ABCB1
SCHEMBL11461363 0.64 KDM4E (0.37) KDM4ECYP3A4ALOX15ABCC9ABCB1
SCHEMBL11453213 0.64 KDM4E (0.39) KDM4ECYP3A4ALOX15ABCC9ABCB1
SCHEMBL11210696 0.63 ABCB1 (0.38) KDM4ECYP3A4ALOX15ABCC9ABCB1
SCHEMBL10908689 0.63 KDM4E (0.77) KDM4ECYP3A4ALOX15ABCC9ABCB1
SCHEMBL11210701 0.63 ABCB1 (0.36) ABCC9ABCB1
SCHEMBL7067974 0.63 TSHR (0.53) KDM4EAR
SCHEMBL11221894 0.63 ABCC9 (0.41) KDM4EABCC9ABCB1ABCC8KCNJ11

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