SCHEMBL8845872

SCHEMBL8845872

CCCCC(CCCCCCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.56
ALOX5 P09917 4/20 0.56
PPARG P37231 4/20 0.56
GRIK1 P39086 1/20 0.55
MMP2 P08253 2/20 0.52
MMP3 P08254 2/20 0.52
CPB2 Q96IY4 1/20 0.51
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TRPA1 O75762 1/20 0.50
CA2 P00918 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL8845789 1.00 PTGES (0.56) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL355603 0.97 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL30839920 0.97 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL10869949 0.97 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL5385323 0.97 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL11305180 0.97 GRIK1 (0.55) PTGESALOX5PPARGGRIK1CPB2
SCHEMBL28807882 0.94 GRIK1 (0.59) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL8904462 0.94 GRIK1 (0.59) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL1131425 0.93 GRIK1 (0.62) PTGESALOX5PPARGGRIK1MMP2
SCHEMBL8904064 0.92 GRIK1 (0.60) PTGESALOX5PPARGGRIK1MMP2

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
EP-0790824-A1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE Roche Diagnostics GmbH (DE) 1997-08-27 EP disclosed
WO-1996015784-A2 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE BOEHRINGER MANNHEIM GMBH (DE) 1996-05-30 WO disclosed