SCHEMBL28043524

SCHEMBL28043524

CC1(C)OCCC(C(C)(C)CC(=O)O)O1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
PTPN1 P18031 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL2820698 0.80
SCHEMBL4590093 0.76
SCHEMBL3836981 0.76
SCHEMBL6598165 0.74
SCHEMBL3866566 0.74
SCHEMBL4197902 0.74
SCHEMBL10850432 0.73
SCHEMBL10850437 0.73
SCHEMBL10763335 0.73
SCHEMBL28238430 0.72 KDM4E (0.33) ALDH1A1SMN1; SMN2

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
CN-105753834-A Synthesis method of rosuvastatin calcium key chiral intermediate 河南师范大学 2016-07-13 CN claimed
CN-105132477-A Preparation method of (4R-cis)-6-chloromethyl-2, 2-dimethyl-1, 3-dioxane-4-acetic acid isopropyl ester ENZYMEWORKS INC 2015-12-09 CN claimed
CN-105132477-A Preparation method of (4R-cis)-6-chloromethyl-2, 2-dimethyl-1, 3-dioxane-4-acetic acid isopropyl ester ENZYMEWORKS INC 2015-12-09 CN disclosed