SCHEMBL2173697

SCHEMBL2173697

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C(C)C(O)C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.51
NAAA Q02083 2/20 0.41
FAAH O00519 4/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL2174736 0.86 PTGS2 (0.49) PTGS2FAAH
SCHEMBL3210607 0.85 NAAA (0.49) PTGS2NAAA
SCHEMBL2174614 0.84 PTGS2 (0.47) PTGS2FAAH
SCHEMBL3150081 0.83 PTGS2 (0.45) PTGS2NAAAMMP2MMP9MMP8
SCHEMBL3150086 0.83 PTGS2 (0.45) PTGS2NAAAMMP2MMP9MMP8
SCHEMBL2175704 0.83 PTGS2 (0.47) PTGS2FAAH
SCHEMBL2174987 0.82 PTGS2 (0.46) PTGS2FAAH
SCHEMBL5274109 0.81 PTGS2 (0.45) PTGS2NAAAMMP2MMP9MMP8
SCHEMBL3439039 0.80 PTGS2 (0.44) PTGS2MMP2MMP9MMP8MMP12
SCHEMBL3439038 0.80 PTGS2 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed