SCHEMBL27985308

SCHEMBL27985308

CCCCC(C(=O)OC(C)(C)CC)C1CCOOC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 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
SCHEMBL28062082 0.78 CA2 (0.37) CA2
SCHEMBL4157176 0.68 CTSK (0.36) CA1CA2
SCHEMBL28190847 0.67 CA2 (0.43) CA1CA2
SCHEMBL2719220 0.67 CA2 (0.61) CA1CA2
Hydrogen Peroxide SCHEMBL28767144 0.66 CA2 (0.59) CA1CA2
SCHEMBL19115361 0.64 CA2 (0.47) CA1CA2
SCHEMBL773685 0.63 HDAC4 (0.36)
SCHEMBL28292452 0.62 NAAA (0.39)
SCHEMBL891323 0.61 CA2 (0.38) CA1CA2
SCHEMBL15287645 0.61 NAAA (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104059048-B A kind of preparation method of the chiral intermediate for statins 凯莱英医药集团(天津)股份有限公司 2016-06-08 CN disclosed
CN-104059048-A Preparation method of chiral intermediate for statin drugs ASYMCHEM LAB TIANJIN CO LTD 2014-09-24 CN disclosed