SCHEMBL11697244

SCHEMBL11697244

CCCOC(OCCC)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
MAPT P10636 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
POLB P06746 3/20 0.49
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 10/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL8909083 0.78 SRC (0.52) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL11692463 0.77 CYP3A4 (0.37) MAPTALDH1A1GAATDP1RAB9A
SCHEMBL880161 0.77 SRC (0.60) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL11986891 0.76 SRC (0.50) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL11696879 0.76 MAPT (0.37) MAPTMEN1KMT2AMCL1ALDH1A1
SCHEMBL126110 0.75 MAPT (0.61) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL22927432 0.75 SRC (0.55) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL11697163 0.75 MAPT (0.53) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL24185740 0.74 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL668092 0.74 SRC (0.66) SRCMAPTMEN1KMT2AL3MBTL1

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