SCHEMBL14724306

SCHEMBL14724306

CC1(C)OC[C@H]([C@H]2OP(=O)(c3ccccc3)[C@@](C)(N)[C@H]3OC(C)(C)O[C@@H]23)O1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 10/20 0.37
▸ CA1 P00915 9/20 0.37
▸ CA9 Q16790 6/20 0.37
▸ CA4 P22748 5/20 0.34
▸ CA5A P35218 5/20 0.34
▸ CA7 P43166 5/20 0.34
▸ CA14 Q9ULX7 5/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ ELANE P08246 4/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 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
SCHEMBL14724305 0.87 MEN1 (0.38) CA2CA1CA9CA4CA5A
SCHEMBL14724322 0.82 CA1 (0.32) CA2CA1CA9CA4CA5A
SCHEMBL13053787 0.78 CA1 (0.36) CA2CA1CA9CA4CA5A
SCHEMBL15989469 0.78 CA1 (0.36) CA2CA1CA9CA4CA5A
SCHEMBL14724320 0.77 CA1 (0.31) CA2CA1CA9CA4CA5A
SCHEMBL14724297 0.77 — —
SCHEMBL14724307 0.77 CA2 (0.32) CA2CA1CA9CA4CA5A
SCHEMBL14724214 0.77 CA1 (0.30) CA2CA1CA9ELANE
SCHEMBL14724287 0.76 CA2 (0.32) CA2CA1CA9CA4CA5A
SCHEMBL14724303 0.76 L3MBTL1 (0.36) CA2CA1CA9CA4CA5A

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-8383609-B2 Phosphorus containing heterocyclic compounds, sugar analogues, and compositions having anti-cancer activity containing the same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-02-26 — — US disclosed
Send feedback