SCHEMBL4596541

SCHEMBL4596541

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCN1CCN(C(=O)CN3C(=O)CCCC3=O)CC1)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL4595660 0.78 KDM4E (0.42) POLBSMN1; SMN2CYP3A4
SCHEMBL4596757 0.78 HTT (0.41) POLBGAASMN1; SMN2
SCHEMBL4597148 0.77 LDHA (0.43) SMN1; SMN2
SCHEMBL4163722 0.76 CA1 (0.36) GAA
SCHEMBL4597224 0.76 ALDH1A1 (0.32) —
SCHEMBL4597200 0.76 USP2 (0.43) GAASMN1; SMN2
SCHEMBL4172727 0.75 CA1 (0.34) —
SCHEMBL4595444 0.73 SIGMAR1 (0.46) —
SCHEMBL4597120 0.73 HRH3 (0.37) —
SCHEMBL9298888 0.73 CA1 (0.34) —

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-1874788-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-09 — — EP disclosed
WO-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 — — WO disclosed
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