SCHEMBL30451609

SCHEMBL30451609

O=c1c2ccc(O)c(O)c2oc2c(O)c(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 3/20 1.00
ATP1B1 P05026 3/20 1.00
ATP1A3 P13637 3/20 1.00
ATP1B2 P14415 3/20 1.00
ATP1A2 P50993 3/20 1.00
ATP1B3 P54709 3/20 1.00
FXYD2 P54710 3/20 1.00
ATP1A4 Q13733 3/20 1.00
NUDT1 P36639 1/20 1.00
ACE P12821 2/20 0.70
PTGS2 P35354 1/20 0.70
MET P08581 1/20 0.62
PKLR P30613 1/20 0.58
GALNT2 Q10471 1/20 0.58
GALNT1 Q10472 1/20 0.58
GALNT3 Q14435 1/20 0.58
GALNT10 Q86SR1 1/20 0.58
GALNT13 Q8IUC8 1/20 0.58
GALNT6 Q8NCL4 1/20 0.58
GALNT14 Q96FL9 1/20 0.58

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
SCHEMBL1444851 1.00 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL151934 0.89 ATP1A1 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7227954 0.89 ATP1A1 (0.79) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3874869 0.85 ATP1A1 (0.74) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7238197 0.85 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL7330918 0.83 ACE (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
3,4-Dihydroxyxanthone SCHEMBL30668688 0.83 PTGS2 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
3,4-Dihydroxyxanthone SCHEMBL133422 0.83 PTGS2 (1.00) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL152329 0.82 ACE (0.73) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL23240704 0.78 ATP1A1 (0.64) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654292-B2 Targeted osmotic lysis of malignant cancer cells using pulsed magnetic field gradients BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-05-23 US claimed
US-11654292-B2 Targeted osmotic lysis of malignant cancer cells using pulsed magnetic field gradients BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2023-05-23 US disclosed