SCHEMBL7160694

SCHEMBL7160694

OC[C@@]1(O)O[C@@H](CNCCCCc2ccccc2)[C@@H](O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ S1PR2 O95136 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39

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
SCHEMBL7160701 1.00 SIGMAR1 (0.45) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7162655 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7160527 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7165897 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7160533 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7165202 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7161637 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7161631 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7165198 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2
SCHEMBL7165890 0.99 SIGMAR1 (0.48) SIGMAR1ALDH1A1HTR2AHRH1S1PR2

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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