SCHEMBL5267461

SCHEMBL5267461

CCCCCCCNC(=O)N(C)c1cc(-c2ccccc2)ccc1C[C@H](OCCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
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
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
NAAA Q02083 3/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ALOX15 P16050 2/20 0.36
EPHX1 P07099 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5268750 1.00 PTGS2 (0.42) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL6255401 0.96 PTGS2 (0.42) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5267215 0.94 PTGS2 (0.43) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5266056 0.93 PTGS2 (0.41) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5266959 0.93 PTGS2 (0.41) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5264764 0.91 PTGS2 (0.41) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL6252730 0.91 PTGS2 (0.41) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5267743 0.90 PTGS2 (0.40) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5266960 0.90 PTGS2 (0.40) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL5271286 0.89 PTGS2 (0.40) PTGS2MMP2MMP9MMP8MMP12

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