SCHEMBL11029228

SCHEMBL11029228

CCCCN[C@@H]1[C@@H](O)[C@@H](OC)O[C@H](CO)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.45
▸ GBA1 P04062 8/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ MGAM O43451 4/20 0.41
▸ SI P14410 4/20 0.41
▸ OGA O60502 1/20 0.37

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
SCHEMBL11029229 1.00 LGALS8 (0.45) LGALS8GBA1MAPK1MGAMSI
SCHEMBL9231772 0.83 GBA1 (0.54) LGALS8GBA1MAPK1
SCHEMBL9231776 0.83 GBA1 (0.54) LGALS8GBA1MAPK1
SCHEMBL10880031 0.81 MAPK1 (0.56) LGALS8GBA1MAPK1
SCHEMBL10880043 0.81 MAPK1 (0.56) LGALS8GBA1MAPK1
SCHEMBL10882040 0.77 MAPK1 (0.62) LGALS8GBA1MAPK1
SCHEMBL10882036 0.77 MAPK1 (0.62) LGALS8GBA1MAPK1
SCHEMBL21105395 0.75 MGAM (0.47) LGALS8GBA1MGAMSI
SCHEMBL31001202 0.75 GBA1 (0.49) GBA1MAPK1OGA
SCHEMBL21059535 0.75 GBA1 (0.49) GBA1MAPK1OGA

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
EP-0056458-B1 NITROSOUREA DERIVATIVES, A PROCESS FOR PREPARING SAME AND THERAPEUTIC COMPOSITIONS Tanabe Seiyaku Co., Ltd. (JP) 1985-05-02 — — EP disclosed
EP-0056458-A1 Nitrosourea derivatives, a process for preparing same and therapeutic compositions Tanabe Seiyaku Co., Ltd. (JP) 1982-07-28 — — EP disclosed
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