SCHEMBL2851884

SCHEMBL2851884

COC(=O)O[C@@H]1C[C@H]1OC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31

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
SCHEMBL1078967 1.00 ALDH1A1 (0.33) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1080369 0.91 CYP1A2 (0.32) CYP1A2HIF1A
SCHEMBL1077674 0.91 CYP1A2 (0.32) CYP1A2HIF1A
SCHEMBL1078611 0.91 CYP1A2 (0.32) CYP1A2HIF1A
SCHEMBL1080848 0.80 INPP5A (0.33)
SCHEMBL1080565 0.79 SERPINE1 (0.38) ALDH1A1CYP1A2HIF1ATSHRSMN1; SMN2
SCHEMBL9216168 0.79 CHRM2 (0.36) ALDH1A1CYP1A2HIF1ATSHRCHRM2
SCHEMBL1079969 0.78 ALDH1A1 (0.33) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1079831 0.77 TSHR (0.40) ALDH1A1TSHR
SCHEMBL2428874 0.76 INPP5A (0.31) CYP1A2HIF1A

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
EP-1827415-B1 CYCLOPROPANE ACID DERIVATIVES FOR THE REDUCTION OF LIPID LEVELS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-01-20 EP disclosed