SCHEMBL2653447

SCHEMBL2653447

C[C@H](C(=O)O)c1ccccc1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
PTGS2 P35354 7/20 0.43
PTGS1 P23219 4/20 0.43
PTGDR Q13258 1/20 0.42
CXCL8 P10145 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP16 P51512 1/20 0.40
APP P05067 1/20 0.39
EPHX1 P07099 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28565924 0.98 PTGDR2 (0.47) PTGDR2PTGS2PTGS1PTGDRCXCL8
SCHEMBL21784784 0.93 MMP2 (0.42) PTGDR2PTGS2PTGS1CXCL8MMP1
SCHEMBL10810341 0.85 CXCL8 (0.38) PTGS2PTGS1CXCL8MMP1MMP2
SCHEMBL4618238 0.84 PTGDR2 (0.41) PTGDR2PTGS2PTGS1PTGDRCXCL8
SCHEMBL415803 0.81 PTGDR2 (0.45) PTGDR2PTGS2PTGS1PTGDRLMNA
SCHEMBL2062948 0.81 PTGDR2 (0.45) PTGDR2PTGS2PTGS1PTGDRLMNA
SCHEMBL418663 0.81 PTGDR2 (0.45) PTGDR2PTGS2PTGS1PTGDRLMNA
Hydrogen Peroxide SCHEMBL11527811 0.81 PTGDR2 (0.44) PTGDR2PTGS2PTGS1PTGDREPHX1
Vedaprofen SCHEMBL29539506 0.80 PTGS1 (0.41) PTGDR2PTGS2PTGS1PTGDRCXCL8
Vedaprofen SCHEMBL505781 0.80 PTGS1 (0.41) PTGDR2PTGS2PTGS1PTGDRCXCL8

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-1934233-A1 SULFONAMIDE DERIVATIVES AS GLYCOKINASE ACTIVATORS USEFUL IN THE TREATMENT OF TYPE 2 DIABETES Novartis AG (CH) 2008-06-25 EP disclosed
WO-2007041366-A1 SULFONAMIDE DERIVATIVES AS GLYCOKINASE ACTIVATORS USEFUL IN THE TREATMENT OF TYPE 2 DIABETES NOVARTIS AG (CH) 2007-04-12 WO disclosed