SCHEMBL13679574

SCHEMBL13679574

CC(=O)OC1CC(O)C(C)O1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CA9 Q16790 4/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
OGA O60502 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
SCHEMBL14601506 0.80 TSHR (0.56) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL13841443 0.78 TSHR (0.42) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL26442012 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL21339698 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL10819181 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL13296956 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL14049458 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL18490894 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL30184333 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4
SCHEMBL2101466 0.77 TSHR (0.53) TSHRCHRM1CHRM3CHRM2CHRM4

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
EP-2105445-A1 METHOD FOR PRODUCTION OF FURANOSE DERIVATIVE API Corporation (JP) 2009-09-30 EP disclosed