SCHEMBL8223215

SCHEMBL8223215

CCCCOc1ccc(OCC)c(OCC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ L3MBTL1 Q9Y468 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ NQO1 P15559 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 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
SCHEMBL8224344 0.94 ALDH1A1 (0.43) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL8225071 0.94 L3MBTL1 (0.47) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL8220033 0.92 ALDH1A1 (0.44) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL1984241 0.89 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL8227403 0.88 L3MBTL1 (0.43) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL9196941 0.86 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTKDM4ENPSR1
SCHEMBL15120819 0.83 L3MBTL1 (0.53) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL8216828 0.82 CYP1A2 (0.38) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
1-Ethoxy-2-Butoxybenzene SCHEMBL3460023 0.80 L3MBTL1 (0.66) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL24608167 0.79 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9L3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 — — US disclosed
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