SCHEMBL13667664

SCHEMBL13667664

CC(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)OC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ POLRMT O00411 1/20 0.33
▸ STING1 Q86WV6 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
SCHEMBL18636645 0.82 CA12 (0.41) CA12CA1CA2CA9POLRMT
SCHEMBL18636617 0.81 CA12 (0.40) CA12CA1CA2CA9POLRMT
SCHEMBL7600077 0.81 RNASEL (0.36) POLRMT
SCHEMBL22646509 0.79 CA12 (0.39) CA12CA1CA2CA9POLRMT
SCHEMBL18666929 0.79 CA12 (0.38) CA12CA1CA2CA9POLRMT
SCHEMBL16502855 0.78 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL12253912 0.78 CA12 (0.39) CA12CA1CA2CA9
SCHEMBL3703700 0.78 POLRMT (0.45) POLRMT
SCHEMBL26251486 0.77 CA12 (0.37) CA12CA1CA2CA9POLRMT
SCHEMBL12253922 0.77 CA12 (0.37) CA12CA1CA2CA9

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
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 — — WO disclosed
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