SCHEMBL3722250

SCHEMBL3722250

N[C@]1(O)C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 3/20 0.37
LGALS1 P09382 2/20 0.36
LGALS3 P17931 2/20 0.36
LGALS9 O00182 1/20 0.36
LGALS8 O00214 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
GBA1 P04062 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL30274154 1.00 CA12 (0.37) CA12CA1CA2CA9LGALS1
SCHEMBL3722255 1.00 CA12 (0.37) CA12CA1CA2CA9LGALS1
SCHEMBL19861525 1.00 CA12 (0.37) CA12CA1CA2CA9LGALS1
SCHEMBL4958591 1.00 CA12 (0.37) CA12CA1CA2CA9LGALS1
SCHEMBL5074939 1.00 CA12 (0.37) CA12CA1CA2CA9LGALS1
Hydrochloric Acid SCHEMBL29164309 0.98 CA12 (0.36) CA12CA1CA2CA9LGALS1
SCHEMBL27659442 0.87 CA12 (0.32) CA12CA1CA2CA9LGALS1
SCHEMBL18769795 0.87 CA12 (0.32) CA12CA1CA2CA9LGALS1
SCHEMBL31006210 0.80 LGALS1 (0.34) CA12CA1CA2CA9LGALS1
SCHEMBL25432185 0.78 LGALS1 (0.39) CA12CA1CA2CA9LGALS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700717-B1 Method for the diagnosis of lysosomal storage diseases PRZYBYLSKI MICHAEL (DE) 2016-06-01 EP claimed
CN-117024629-A Method for extracting chitosan from edible fungi and chitosan 陕西科技大学 2023-11-10 CN disclosed
WO-2010118516-A1 COMPOSITIONS FOR SUBLINGUAL DRUG DELIVERY AND METHODS OF USE THEREOF GLOBE LABORATORIES INC. (CA) 2010-10-21 WO disclosed
WO-2001049693-A1 4-O-[2-(N,N-DIALKYLAMINO)-2-DEOXY-4,6-O,O-beta-D-GLUCOSYL]-4'-O-DEMETHYL-EPI-PODOPHYLLOTOXIN, DERIVATIVES, AND AN ANTICANCER COMPOSITION CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-07-12 WO disclosed