SCHEMBL2174987

SCHEMBL2174987

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C(C)C(OCC3CC3)C(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.46
FAAH O00519 4/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
DGAT1 O75907 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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 0.89 PTGS2 (0.49) PTGS2FAAH
SCHEMBL2174614 0.87 PTGS2 (0.47) PTGS2FAAH
SCHEMBL2175704 0.86 PTGS2 (0.47) PTGS2FAAH
SCHEMBL2175781 0.84 PLG (0.43) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2175784 0.84 PLG (0.43) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2174444 0.83 PLG (0.42) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2174447 0.83 PLG (0.42) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2173697 0.82 PTGS2 (0.51) PTGS2FAAH
SCHEMBL2174985 0.81 PLG (0.42) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2176885 0.80 PLG (0.40) PTGS2PLGPRSS1PRSS2PRSS3

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