SCHEMBL9225694

SCHEMBL9225694

CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2OC3(CCCCC3)O[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CA2 P00918 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
SCHEMBL988652 0.85 POLB (0.33) POLBGAAMAPK1NPSR1CA2
SCHEMBL19479801 0.85 POLB (0.33) POLBGAAMAPK1NPSR1CA2
SCHEMBL19479799 0.85 POLB (0.33) POLBGAAMAPK1NPSR1CA2
SCHEMBL19479803 0.78 GBA1 (0.35) POLBGAAMAPK1NPSR1
SCHEMBL19479648 0.78 GBA1 (0.35) POLBGAAMAPK1NPSR1
SCHEMBL990420 0.78 GBA1 (0.35) POLBGAAMAPK1NPSR1
SCHEMBL18408761 0.77 POLB (0.39) POLBGAAMAPK1NPSR1
SCHEMBL2743733 0.74 POLB (0.33) POLBGAAMAPK1NPSR1
SCHEMBL14045691 0.74 POLB (0.33) POLBGAAMAPK1NPSR1
SCHEMBL2743737 0.74 POLB (0.33) POLBGAAMAPK1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7149752-A — — None — — JP disclosed
JP-H07149752-A INOSITOL DERIVATIVE AND ITS PRODUCTION MITSUI TOATSU CHEM INC 1995-06-13 — — JP disclosed
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