SCHEMBL11698809

SCHEMBL11698809

CCCCOC(=O)C=Cc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
HPGD P15428 3/20 0.67
KDM4E B2RXH2 8/20 0.66
GAA P10253 1/20 0.65
APP P05067 5/20 0.63
TRPM8 Q7Z2W7 2/20 0.58
MAOB P27338 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57

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
SCHEMBL17340471 0.92 MAOB (0.69) ALDH1A1HPGDKDM4EGAAAPP
SCHEMBL3565699 0.87 KDM4E (0.72) ALDH1A1HPGDKDM4EGAATRPM8
SCHEMBL34468091 0.87 KDM4E (0.72) ALDH1A1HPGDKDM4EGAATRPM8
SCHEMBL3565700 0.87 KDM4E (0.72) ALDH1A1HPGDKDM4EGAATRPM8
SCHEMBL17682008 0.83 TDP1 (0.63) ALDH1A1HPGDKDM4EGAATRPM8
SCHEMBL14069602 0.83 APP (0.57) ALDH1A1HPGDKDM4EGAAAPP
SCHEMBL28515198 0.80 GABRA1 (0.54) ALDH1A1HPGDKDM4ETRPM8MAOB
SCHEMBL22882055 0.80 KDM4E (0.57) ALDH1A1HPGDKDM4EGAAAPP
SCHEMBL2486592 0.80 KDM4E (1.00) ALDH1A1HPGDKDM4EGAAAPP
SCHEMBL2486594 0.80 KDM4E (1.00) ALDH1A1HPGDKDM4EGAAAPP

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-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 US disclosed