SCHEMBL9502904

SCHEMBL9502904

CO[C@@H]1O[C@@H](C)[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
OGA O60502 1/20 0.31
F10 P00742 1/20 0.30
METAP2 P50579 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
SCHEMBL13352352 0.82 TSHR (0.33) CA9CA12CA1CA2OGA
SCHEMBL13321156 0.82 TSHR (0.33) CA9CA12CA1CA2OGA
SCHEMBL13321139 0.82 TSHR (0.33) CA9CA12CA1CA2OGA
SCHEMBL12118367 0.78 MMP1 (0.32) MMP1MMP3MMP9ADAM17METAP2
SCHEMBL7215110 0.77 CA9 (0.46) CA9CA12CA1CA2MMP9
SCHEMBL3238675 0.77 CA9 (0.46) CA9CA12CA1CA2MMP9
SCHEMBL3244545 0.77 CA9 (0.46) CA9CA12CA1CA2MMP9
SCHEMBL10013536 0.76
SCHEMBL10231804 0.76
SCHEMBL7209291 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230322-B1 2,6-DIDEOXY-2-FLUORO-L-TALOPYRANOSE AND DERIVATES THEREOF AND THE PRODUCTION OF THESE COMPOUNDS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1993-07-21 EP disclosed
EP-0230013-B1 NEW ANTHRACYCLINE DERIVATIVES, USES THEREOF AS ANTITUMOR AGENT AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1992-06-17 EP disclosed
US-5034517-A Process for producing 2,6-dideoxy-2-fluoro-L-talopyranose ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1991-07-23 US disclosed
EP-0230013-A1 New anthracycline derivatives, uses thereof as antitumor agent and production thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1987-07-29 EP disclosed