SCHEMBL9149983

SCHEMBL9149983

O=C(CC(=O)OC(=O)C(O)C(O)C(=O)O)OC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PGD P52209 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33

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
SCHEMBL94759 0.86 TSHR (0.48) TSHRHTTPGDCYP2C9PDE4A
SCHEMBL9547017 0.86 TSHR (0.39) TSHR
SCHEMBL27625179 0.84 TSHR (0.46) TSHRHTTPGDCYP2C9PDE4A
SCHEMBL27605067 0.84 TSHR (0.46) TSHRHTTMGAMGAASI
SCHEMBL7035397 0.84 TSHR (0.46) TSHRHTTPGDCYP2C9PDE4A
SCHEMBL28775765 0.82 TSHR (0.36) TSHR
SCHEMBL1864896 0.82 TSHR (0.43) TSHRHTTPGDCYP2C9
SCHEMBL29232003 0.82 TSHR (0.62) TSHRHTTPGDCYP2C9PDE4A
SCHEMBL9862728 0.82 TSHR (0.62) TSHRHTTPGDCYP2C9PDE4A
SCHEMBL1397720 0.82 TSHR (0.62) TSHRHTTPGDCYP2C9PDE4A

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-5443971-A Pyranones ZENECA LIMITED (GB) 1995-08-22 US disclosed