SCHEMBL2174734

SCHEMBL2174734

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
MMEL1 Q495T6 1/20 0.38
HDAC1 Q13547 6/20 0.37
HDAC6 Q9UBN7 6/20 0.37
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 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
SCHEMBL2175533 0.94 PTGS2 (0.40) PTGS2MMEL1HDAC1HDAC6PLG
SCHEMBL2175536 0.94 PTGS2 (0.40) PTGS2MMEL1HDAC1HDAC6PLG
SCHEMBL2173079 0.93 PTGS2 (0.44) PTGS2MMEL1PLGPRSS1PRSS2
SCHEMBL2173074 0.93 PTGS2 (0.44) PTGS2MMEL1PLGPRSS1PRSS2
SCHEMBL2174810 0.92 PTGS2 (0.42) PTGS2MMEL1ITGB3ITGAVLTB4R2
SCHEMBL2174814 0.92 PTGS2 (0.42) PTGS2MMEL1ITGB3ITGAVLTB4R2
SCHEMBL2174985 0.91 PLG (0.42) PTGS2HDAC1HDAC6PLGPRSS1
SCHEMBL2174613 0.90 ITGB3 (0.42) PTGS2HDAC1HDAC6PLGPRSS1
SCHEMBL2176888 0.90 PLG (0.40) PTGS2MMEL1PLGPRSS1PRSS2
SCHEMBL2175701 0.90 PTGS2 (0.38) PTGS2MMEL1HDAC1HDAC6PLG

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