SCHEMBL5266959

SCHEMBL5266959

CCCCCNC(=O)N(C)c1cc(-c2ccccc2)ccc1CC(OCC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
PPARG P37231 12/20 0.41
PPARA Q07869 12/20 0.41
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP12 P39900 2/20 0.39
MMP14 P50281 2/20 0.39
PPARD Q03181 7/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 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
SCHEMBL5266056 1.00 PTGS2 (0.41) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5267215 0.99 PTGS2 (0.43) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5268750 0.93 PTGS2 (0.42) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5267461 0.93 PTGS2 (0.42) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL6255401 0.93 PTGS2 (0.42) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5266960 0.92 PTGS2 (0.40) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5264764 0.91 PTGS2 (0.41) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL6252730 0.91 PTGS2 (0.41) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5271018 0.89 PTGS2 (0.38) PTGS2PPARGPPARAMMP2MMP9
SCHEMBL5271286 0.89 PTGS2 (0.40) PTGS2PPARGPPARAMMP2MMP9

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-1742608-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϝ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-01-17 EP disclosed
WO-2005108352-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϜ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 WO disclosed