SCHEMBL6873455

SCHEMBL6873455

O=[N+]([O-])c1ccc(O[C@@H]2[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H]2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PMP22 Q01453 1/20 0.46
TYR P14679 3/20 0.43
HPSE Q9Y251 2/20 0.40
FGF1 P05230 1/20 0.39
FGF2 P09038 1/20 0.39
VEGFA P15692 1/20 0.39
LGALS3 P17931 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
SCHEMBL6514488 0.93 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL284676 0.93 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL9806246 0.91 TYR (0.48) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL8313911 0.88 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL5831825 0.88 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL8315726 0.88 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL9563939 0.88 CYP1A2 (0.47) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL8935888 0.87 CYP1A2 (0.46) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL9137246 0.87 CYP1A2 (0.48) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL5831830 0.87 TYR (0.57) CYP1A2NFKB1THPOALDH1A1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818415-B2 Sodium activation of amylase ABAXIS, INC. 2004-11-16 US disclosed
US-20030022264-A1 Sodium activation of amylase ABAXIS, INC. 2003-01-30 US disclosed
US-5859333-A INCORPORATING INTO GENOME OF PLANT A DONOR GENE ENCODING A STARCH PRIMER FOR ALTERED ABILITY TO SYNTHESIZE STARCH ZENECA LIMITED (GB) 1999-01-12 US disclosed
US-5229270-A Quantitative analysis for chloride by forming a chelate with calcium ion, deactivated alpha-amylase, a calcium chelate and an activity measuring substance KANTO KAGAKU KABUSHIKI KAISHA (JP) 1993-07-20 US disclosed
EP-0275398-B1 REAGENT FOR THE DETERMINATION OF CHLORIDE IONS Kanto Kagaku Kabushiki Kaisha (JP) 1992-08-05 EP disclosed