SCHEMBL11693258

SCHEMBL11693258

CCCCCOCC(C)OCCCOC(OCCCOC(C)COCCCCC)c1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.42
SOAT1 P35610 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 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
SCHEMBL11852253 0.87 CYP3A4 (0.49) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30474848 0.82 ALDH1A1 (0.52) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL164037 0.82 ALDH1A1 (0.52) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8370158 0.82 ALDH1A1 (0.52) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11693265 0.81
SCHEMBL11693559 0.80 CYP1A2 (0.52) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11693333 0.75 CYP1A2 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11699268 0.74 CYP2D6 (0.68) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1358671 0.73 CYP1A2 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11692433 0.72 KMT2A (0.46) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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