SCHEMBL8403722

SCHEMBL8403722

CC(=O)N[C@@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2N)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ LGALS3 P17931 4/20 0.46
▸ LGALS8 O00214 1/20 0.45
▸ LGALS4 P56470 1/20 0.45
▸ LGALS1 P09382 1/20 0.44
▸ LGALS7; LGALS7B P47929 1/20 0.44
▸ CHIA Q9BZP6 1/20 0.43

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
SCHEMBL8403721 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL14279443 0.93 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL30388553 0.93 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL30372067 0.93 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL29895288 0.93 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL16193444 0.92 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL16193445 0.92 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LGALS3LGALS8LGALS4
SCHEMBL7717428 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2
SCHEMBL7717426 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2
SCHEMBL262925 0.88 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994520-A p-Nitrophenyl 2-acetylamino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β -D-Glucopyranoside and its salts, and method for producing them DIRECTOR OF NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY AND FISHERIES (JP) 1999-11-30 — — US claimed
JP-10330392-A — — None — — JP disclosed
US-5994520-A p-Nitrophenyl 2-acetylamino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β -D-Glucopyranoside and its salts, and method for producing them DIRECTOR OF NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY AND FISHERIES (JP) 1999-11-30 — — US disclosed
US-5994520-A p-Nitrophenyl 2-acetylamino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β -D-Glucopyranoside and its salts, and method for producing them DIRECTOR OF NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY AND FISHERIES (JP) 1999-11-30 — — US disclosed
US-5994520-A p-Nitrophenyl 2-acetylamino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β -D-Glucopyranoside and its salts, and method for producing them DIRECTOR OF NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY AND FISHERIES (JP) 1999-11-30 — — US disclosed
JP-H10330392-A PARA-NITROPHENYL 2-ACETYLAMINO-4-O-(2-AMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSIDE, ITS SALT AND ITS PRODUCTION NATL FOOD RES INST 1998-12-15 — — JP disclosed
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