SCHEMBL9287120

SCHEMBL9287120

CC1(C)OC(C2CO2)[C@@H](C2CO2)O1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ MGAM2 Q2M2H8 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
SCHEMBL7304391 1.00 CA1 (0.31) CA1CA2CA9MGAMGAA
SCHEMBL12572579 1.00 CA1 (0.31) CA1CA2CA9MGAMGAA
SCHEMBL15678414 0.86 CA2 (0.45) CA1CA2CA9
SCHEMBL13592460 0.84 CA2 (0.44) CA1CA2CA9
SCHEMBL14568792 0.78 THRB (0.37) CA1CA2CA9
SCHEMBL14440989 0.78 THRB (0.37) CA1CA2CA9
SCHEMBL9204368 0.78 TDP1 (0.31) —
SCHEMBL5260266 0.78 CA2 (0.37) CA1CA2CA9
SCHEMBL13792427 0.78 CA2 (0.37) CA1CA2CA9
SCHEMBL15960077 0.76 CA2 (0.39) CA1CA2CA9

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
US-20120134978-A1 Cross-Linking of Superoxide Dismutase Monomers BRANDEIS UNIVERSITY (US) 2012-05-31 — — US disclosed
Send feedback