SCHEMBL528015

SCHEMBL528015

Cc1cc(Oc2ccccc2)c2c(n1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 19/20 0.50
BCHE P06276 18/20 0.50
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
GRIN2B Q13224 4/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10286184 0.80 BRD4 (0.44) ACHEBCHECYP1A2CYP2C19SMN1; SMN2
SCHEMBL527692 0.77 BRD4 (0.47) ACHEBCHECYP1A2CYP2C19SMN1; SMN2
SCHEMBL26330071 0.77 ACHE (0.50) ACHEBCHEGRIN1GRIN2AGRIN2B
SCHEMBL527120 0.75 ACHE (0.46) ACHEBCHECYP1A2CYP2C19SMN1; SMN2
SCHEMBL24287266 0.75 LMNA (0.57) ACHEBCHEGRIN1GRIN2AGRIN2B
SCHEMBL526243 0.73 KDM4E (0.45) ACHEBCHEGRIN1GRIN2AGRIN2B
SCHEMBL28623444 0.72 SYK (0.51) ACHEBCHECYP1A2
SCHEMBL15127494 0.72 KDM4E (0.44) ACHEBCHEGRIN1GRIN2ASMN1; SMN2
SCHEMBL24287389 0.72 LMNA (0.57) ACHEBCHECYP1A2CYP2C19SMN1; SMN2
SCHEMBL527227 0.70 NOS3 (0.64) ACHEBCHEGRIN1GRIN2A

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
EP-2598487-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-06-05 EP disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed