SCHEMBL4597148

SCHEMBL4597148

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCN1CCN(C(=O)c3ccc(F)cc3)CC1)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.43
▸ DRD2 P14416 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ KCNA5 P22460 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4597200 0.80 USP2 (0.43) KCNA5TP53SMN1; SMN2
SCHEMBL4596757 0.79 HTT (0.41) ALDH1A1SMN1; SMN2
SCHEMBL4595660 0.79 KDM4E (0.42) DRD2DRD3KCNA5ALDH1A1SMN1; SMN2
SCHEMBL4595444 0.77 SIGMAR1 (0.46) —
SCHEMBL4596541 0.77 PDE4B (0.33) SMN1; SMN2
SCHEMBL4597673 0.77 SLC6A2 (0.39) DRD2DRD3
SCHEMBL4597120 0.75 HRH3 (0.37) DRD2DRD3
SCHEMBL4597224 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9298888 0.71 CA1 (0.34) —
SCHEMBL4596810 0.70 KCNH2 (0.46) —

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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