SCHEMBL11213679

SCHEMBL11213679

CC(C)C1(C)C(=O)Oc2ccc(C#N)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.41
ABCC9 O60706 4/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL11221894 0.83 ABCC9 (0.41) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11218301 0.73 PGR (0.41) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL11212863 0.72 PGR (0.42) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL11215869 0.65 NOTUM (0.46) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11461359 0.64 ABCB1 (0.37) ABCB1
SCHEMBL31103518 0.64 NOS3 (0.44)
SCHEMBL11444455 0.64 ABCB1 (0.39) ABCB1
SCHEMBL6103250 0.64 PGR (0.47) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16905573 0.63 PGR (0.38) ABCB1
SCHEMBL8984728 0.62 PDK2 (0.50) ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US claimed
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