SCHEMBL2858449

SCHEMBL2858449

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@@](Cc3cccc(OC)c3)(Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
PTAFR P25105 1/20 0.37
HDAC1 Q13547 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B2 P37059 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
HSD17B1 P14061 1/20 0.36
EPHX2 P34913 2/20 0.36
PTGES O14684 1/20 0.35
ALOX5 P09917 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
SCHEMBL2855300 0.94 LTB4R2 (0.38) HDAC1PTGS2
SCHEMBL2859541 0.91 LTB4R2 (0.36) PTGS2
SCHEMBL2847841 0.91 LTB4R2 (0.38) HDAC1PTGS2
SCHEMBL2849456 0.90 LTB4R2 (0.37) HDAC1PTGS2
SCHEMBL2854102 0.90 LTB4R2 (0.37) HDAC1PTGS2
SCHEMBL2849758 0.89 LTB4R2 (0.36) HDAC1PTGS2
SCHEMBL2854523 0.85 LTB4R2 (0.34) HDAC1PTGS2
SCHEMBL2858447 0.83 PPARG (0.43)
SCHEMBL2851855 0.83 TACR2 (0.38)
SCHEMBL2852386 0.81 PPARG (0.45)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP claimed