SCHEMBL7162923

SCHEMBL7162923

OC[C@]1(O)O[C@H](CNCCCc2ccccc2)[C@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MPO P05164 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL7162918 1.00 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2HTR2AHRH1MGAM
SCHEMBL7160701 0.96 SIGMAR1 (0.45) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7160694 0.96 SIGMAR1 (0.45) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7160533 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7165198 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7161631 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7161637 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7160527 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7162655 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1
SCHEMBL7165202 0.95 SIGMAR1 (0.48) SIGMAR1HTR2AHRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552176-B2 One pot G. D. SEARLE & CO. 2003-04-22 — — US disclosed
US-20010019837-A1 PROCESS FOR MICROBIALLY OXIDIZING N-SUBSTITUTED GLUCAMINES GRABNER ROY WALTER (US) 2001-09-06 — — US disclosed
US-5916784-A Process for microbially oxidizing N-substituted glucamines G.D. SEARLE & COMPANY (US) 1999-06-29 — — US disclosed
US-5610039-A OXIDIZING A GLUCAMINE TO PRODUCE AN INTERMEDIATE COMPOUND AND REDUCING INTERMEDIATE G. D. SEARLE & CO. (US) 1997-03-11 — — US disclosed
US-5602013-A Process for producing N-substituted-1-deoxynojirimycin G. D. SEARLE & CO. (US) 1997-02-11 — — US disclosed
EP-0477160-B1 Process for producing N-substituted-1-deoxynojirimycin MONSANTO CO (US) 1996-04-24 — — EP disclosed
EP-0477160-A1 Process for producing N-substituted-1-deoxynojirimycin MONSANTO COMPANY (US) 1992-03-25 — — EP disclosed
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