SCHEMBL11215869

SCHEMBL11215869

CC1(C)COc2ccc(C#N)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
DAO P14920 1/20 0.40
ABCB1 P08183 3/20 0.39
RXRA P19793 1/20 0.38
BACE1 P56817 1/20 0.37
ABCC9 O60706 2/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
KDM1A O60341 1/20 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
SCHEMBL10861134 0.83 DAO (0.38) DAOABCB1BACE1ABCC9ABCC8
SCHEMBL1391209 0.83 NOTUM (0.46) NOTUMRARBRARGRARAPTGS1
SCHEMBL11216758 0.81 ABCB1 (0.39) ABCB1BACE1ABCC9ABCC8KCNJ11
SCHEMBL11214490 0.77 ABCB1 (0.34) DAOABCB1ABCC9ABCC8KCNJ11
SCHEMBL25387439 0.75 DAO (0.41) DAOABCB1ABCC9ABCC8KCNJ11
SCHEMBL30514069 0.75 DAO (0.41) DAOABCB1ABCC9ABCC8KCNJ11
SCHEMBL13740056 0.74 OPRD1 (0.39) DAOBACE1KDM1ACYP2D6
SCHEMBL720137 0.74 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL2434643 0.74 NOTUM (0.50) NOTUMRARBRARGRARAPTGS1
SCHEMBL3421790 0.73 NOTUM (0.49) NOTUMRARBRARGRARAPTGS1

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