SCHEMBL6912938

SCHEMBL6912938

CCc1ccccc1C(=O)[O-].CCc1ccccc1C(=O)[O-].[Cd+2]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CLCN2 P51788 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 1/20 0.42
F2R P25116 1/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.39
FOLH1 Q04609 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL6914866 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL6915605 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
Potassium Ion SCHEMBL8104738 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL11244243 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
Zinc Ion SCHEMBL6914561 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL11182007 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL6912609 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL8877744 0.96 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL6916471 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1
SCHEMBL6914501 0.96 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ECLCN2GABRA1

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-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed