SCHEMBL18082004

SCHEMBL18082004

CC(=O)OC1O[C@H](C)[C@@H](O)[C@H]1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
CA9 Q16790 5/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 3/20 0.39
CYP3A4 P08684 6/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.35
CYP2D6 P10635 2/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RPS6KA3 P51812 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
CD69 Q07108 1/20 0.32
FUCA1 P04066 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
SCHEMBL16508656 1.00 OGA (0.44) OGACA9CA2CA12CA1
SCHEMBL13341455 1.00 OGA (0.44) OGACA9CA2CA12CA1
SCHEMBL18239034 1.00 OGA (0.44) OGACA9CA2CA12CA1
SCHEMBL16492114 0.94 OGA (0.42) OGACA9CA2CA12CA1
SCHEMBL16743504 0.94 OGA (0.46) OGACA9CA2CA12CA1
SCHEMBL15730189 0.94 OGA (0.42) OGACA9CA2CA12CA1
SCHEMBL15451493 0.94 OGA (0.46) OGACA9CA2CA12CA1
SCHEMBL7538718 0.94 OGA (0.46) OGACA9CA2CA12CA1
SCHEMBL16315909 0.94 OGA (0.42) OGACA9CA2CA12CA1
SCHEMBL15730547 0.94 OGA (0.42) OGACA9CA2CA12CA1

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-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed