SCHEMBL6258639

SCHEMBL6258639

CCC(CC)c1ccccc1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.52
CYSLTR2 Q9NS75 4/20 0.47
CYSLTR1 Q9Y271 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTGS2 P35354 3/20 0.42
BCAT2 O15382 1/20 0.41
CXCL8 P10145 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.39
PTGS1 P23219 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
SCHEMBL8086649 0.84 TSHR (0.53) AKR1B1CYSLTR2CYSLTR1TDP1PTGS2
SCHEMBL3395166 0.84 AKR1B1 (0.50) AKR1B1CYSLTR2CYSLTR1TDP1PTGS2
SCHEMBL2554055 0.81 AKR1B1 (0.55) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL9276125 0.80 GABRA1 (0.41) CYSLTR2CYSLTR1KDM4EMAPT
Hydrochloric Acid SCHEMBL10582878 0.79 AKR1B1 (0.53) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL3383898 0.79 AKR1B1 (0.57) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL11669660 0.78 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL2004084 0.78 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL18301679 0.77 AKR1B1 (0.55) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL29718755 0.77 AKR1B1 (0.55) AKR1B1TDP1PTGS2BCAT2CXCL8

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
EP-0946170-B8 DICLOFENAC FOR THE TREATMENT OF VASCULOPATHIES GLYCADIA INC (US) 2005-12-07 EP disclosed
EP-0946170-B1 DICLOFENAC FOR THE TREATMENT OF VASCULOPATHIES EXOCELL INC (US) 2005-10-12 EP disclosed
EP-0946170-A4 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL INC (US) 2002-03-20 EP disclosed
EP-0946170-A1 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL, INC. (US) 1999-10-06 EP disclosed
WO-1997029746-A1 INHIBITION OF PROTEIN GLYCATION AND PREVENTION OF VASCULOPATHY EXOCELL, INC. (US) 1997-08-21 WO disclosed