SCHEMBL7259809

SCHEMBL7259809

COC(=O)OCC1=CC(=O)OC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
MTNR1A P48039 1/20 0.35
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
PPARG P37231 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 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
SCHEMBL18196039 0.83 ALDH1A1 (0.43) CA1CA9MTNR1AHIF1AEPAS1
SCHEMBL18196023 0.80 ALDH1A1 (0.39) CA1CA9HIF1AEPAS1PPARG
SCHEMBL18197755 0.77 CA1 (0.34) CA1CA9
SCHEMBL7343487 0.69 CA1 (0.36) CA1CA9
SCHEMBL979771 0.68
SCHEMBL7303886 0.66 CA1 (0.35) CA1CA9HIF1AEPAS1
SCHEMBL419742 0.64
SCHEMBL16295793 0.63 SMN1; SMN2 (0.47) SMN1; SMN2KMT2A
SCHEMBL1549936 0.63 ALDH1A1 (0.64) SMN1; SMN2KMT2A
SCHEMBL19847035 0.61 PKM (0.32) KMT2A

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-2003051857-A2 FURANONE SYNTHESIS MERCK PATENT GMBH (DE) 2003-06-26 WO disclosed