SCHEMBL5754584

SCHEMBL5754584

CCOC(=O)OC1(O)CCC(OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SOAT1 P35610 1/20 0.38
EPHX2 P34913 1/20 0.32
DPP4 P27487 1/20 0.31
GRM1 Q13255 3/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
GAA P10253 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1320753 0.77 POLB (0.33) ALDH1A1EPHX2DPP4GRM1LMNA
SCHEMBL1714458 0.77 ALDH1A1 (0.38) ALDH1A1SOAT1GAALMNA
SCHEMBL8308690 0.76 ALDH1A1 (0.48) ALDH1A1SOAT1GAALMNAHSD17B10
SCHEMBL13878962 0.74 BRD4 (0.36) ALDH1A1EPHX2DPP4
SCHEMBL8311343 0.73 ALDH1A1 (0.44) ALDH1A1SOAT1GAALMNAHSD17B10
SCHEMBL7120130 0.73 ALDH1A1 (0.44) ALDH1A1SOAT1GAALMNAHSD17B10
SCHEMBL14129091 0.72 GAA (0.38) ALDH1A1EPHX2DPP4GAA
SCHEMBL28745251 0.72 DPP4 (0.34) ALDH1A1EPHX2DPP4GAA
SCHEMBL11483266 0.69 ALDH1A1 (0.40) ALDH1A1SOAT1GAALMNAHSD17B10
SCHEMBL7932550 0.69 ALDH1A1 (0.55) ALDH1A1SOAT1GAALMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296979-B1 HETeroARYL-SUBSTITUTED HETEROCYCLES and their use as pesticides BAYER CROPSCIENCE AG (DE) 2006-01-04 EP disclosed
EP-1296979-A1 HETARYL-SUBSTITUTED HETEROCYCLES Bayer CropScience AG (DE) 2003-04-02 EP disclosed
WO-2001096333-A1 HETARYL-SUBSTITUTED HETEROCYCLES BAYER CROPSCIENCE AG (DE) 2001-12-20 WO disclosed