SCHEMBL7932550

SCHEMBL7932550

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SOAT1 P35610 1/20 0.50
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.36
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL9362849 0.92 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL7058356 0.91 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL8654680 0.86 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL7107572 0.82 ALOX15 (0.43) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL18898882 0.81 ALDH1A1 (0.40) ALDH1A1SOAT1LMNAHSD17B10MEN1
SCHEMBL13457064 0.79 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL18898881 0.78 ALDH1A1 (0.38) ALDH1A1SOAT1SMN1; SMN2
SCHEMBL12334684 0.77 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL1670811 0.77 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL6898926 0.76 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873984-B1 Process for preparing alkyl- and aryl- substituted malonic acids DEGUSSA (DE) 2001-09-12 EP disclosed
EP-0857712-B1 Process for the preparation of cyclopropane-1,1-dicarboxylic acid DEGUSSA (DE) 2001-07-18 EP disclosed
EP-0873984-A1 Process for preparing alkyl- and aryl- substituted malonic acids HÜLS AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
EP-0857712-A1 Process for the preparation of malonic and alkylmalonic acids HÜLS AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
EP-0459285-B1 Ortho-substituted benzyl esters of cyclopropane carboxylic acids BASF AG (DE) 1994-12-14 EP disclosed
EP-0459285-A1 Ortho-substituted benzyl esters of cyclopropane carboxylic acids BASF Aktiengesellschaft (DE) 1991-12-04 EP disclosed