SCHEMBL7182813

SCHEMBL7182813

C[C@@]1(Oc2cccc(C(c3ccccc3)c3ccccc3)c2)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
SLC5A2 P31639 5/20 0.32
ALDH1A1 P00352 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC5A1 P13866 3/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL6009962 0.81 SLC5A1 (0.39) SLC5A2SLC5A1
SCHEMBL10805517 0.79 PTGS1 (0.33) PTGS1ALDH1A1TDP1GRIN2B
SCHEMBL27633154 0.69 CDK1 (0.55) SLC5A2CA9SLC5A1
SCHEMBL10808195 0.68 PDE4D (0.37) PTGS1SLC5A2CA12CA1CA9
SCHEMBL12930026 0.66 CYP3A4 (0.36) SLC5A2SLC5A1
SCHEMBL12899843 0.66 CYP3A4 (0.36) SLC5A2SLC5A1
SCHEMBL28177313 0.66 TXNRD1 (0.34) SLC5A2
SCHEMBL1581949 0.65 TDP1 (0.48) ALDH1A1CA12CA1CA9TDP1
SCHEMBL9118857 0.65 TDP1 (0.48) ALDH1A1CA12CA1CA9TDP1
SCHEMBL2343404 0.65 TDP1 (0.48) ALDH1A1CA12CA1CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6468688-B2 CHARGING, DISCHARGING EFFICIENCY; VANADIUM ELECTROLYTE PINNACLE VRB LIMITED (AU) 2002-10-22 US disclosed
US-20010028977-A1 Charging, discharging efficiency; vanadium electrolyte JD HOLDING INC. (KY) 2001-10-11 US disclosed