SCHEMBL2174985

SCHEMBL2174985

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](OCC3CC3)C(=O)OC)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 13/20 0.42
PRSS1 P07477 13/20 0.42
PRSS2 P07478 13/20 0.42
PRSS3 P35030 13/20 0.42
PTGS2 P35354 1/20 0.37
PLAU P00749 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 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
SCHEMBL2176888 0.99 PLG (0.40) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2176885 0.99 PLG (0.40) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2175784 0.93 PLG (0.43) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2175781 0.93 PLG (0.43) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2174447 0.92 PLG (0.42) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2174444 0.92 PLG (0.42) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2174734 0.91 PTGS2 (0.40) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2175533 0.90 PTGS2 (0.40) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL2175536 0.90 PTGS2 (0.40) PLGPRSS1PRSS2PRSS3PTGS2
SCHEMBL3944631 0.88 PLG (0.39) PLGPRSS1PRSS2PRSS3PTGS2

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