SCHEMBL30163231

SCHEMBL30163231

CCCCC(=O)OC[C@H]1OC(O)[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)[C@@H]1OC(=O)CCCC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.64
▸ CA12 O43570 8/20 0.46
▸ CA1 P00915 8/20 0.46
▸ CA2 P00918 8/20 0.46
▸ CA9 Q16790 8/20 0.46
▸ CA14 Q9ULX7 8/20 0.46
▸ TLR4 O00206 2/20 0.41
▸ DGKA P23743 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL27951344 1.00 MAPT (0.64) MAPTCA12CA1CA2CA9
SCHEMBL15659416 0.96 MAPT (0.62) MAPTCA12CA1CA2CA9
SCHEMBL15659417 0.96 MAPT (0.62) MAPTCA12CA1CA2CA9
SCHEMBL15659187 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9
SCHEMBL19304981 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9
SCHEMBL15659490 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9
SCHEMBL15660310 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9
SCHEMBL15660313 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9
SCHEMBL15656361 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9
SCHEMBL15659489 0.94 MAPT (0.61) MAPTCA12CA1CA2CA9

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-11597741-B2 Processes and materials for the synthesis of sugar esters found in natural tobacco Myst Labs Inc. (US) 2023-03-07 — — US disclosed
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