SCHEMBL11216758

SCHEMBL11216758

CC1(C)OCC(C)(C)c2cc(C#N)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.39
BACE1 P56817 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ABCC9 O60706 3/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 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
SCHEMBL11215869 0.81 NOTUM (0.46) ABCB1BACE1ABCC9ABCC8KCNJ11
SCHEMBL11214490 0.72 ABCB1 (0.34) ABCB1KDM4EABCC9ABCC8KCNJ11
SCHEMBL10861134 0.69 DAO (0.38) ABCB1BACE1KDM4EABCC9ABCC8
SCHEMBL25387439 0.67 DAO (0.41) ABCB1KDM4EABCC9ABCC8KCNJ11
SCHEMBL30514069 0.67 DAO (0.41) ABCB1KDM4EABCC9ABCC8KCNJ11
SCHEMBL2223445 0.66 RARB (0.53)
SCHEMBL16905203 0.66 PGR (0.42) ABCB1
SCHEMBL11210703 0.66 KDM4E (0.44) ABCB1KDM4EABCC9ABCC8KCNJ11
SCHEMBL15147627 0.66 KDM1A (0.41) CYP2D6CYP2C9CYP2C19
SCHEMBL2471424 0.66 MALT1 (0.43) ABCB1KDM4EABCC9CYP1A2CYP2D6

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