SCHEMBL2175701

SCHEMBL2175701

C=CCO[C@@H](Cc1ccc(-c2cccc(N(C)C(=O)NCCCCCCC)c2)cc1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
HDAC1 Q13547 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
FAAH O00519 1/20 0.35
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
MMEL1 Q495T6 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL2173342 0.93 PTGS2 (0.41) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2173346 0.93 PTGS2 (0.41) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2176316 0.93 PTGS2 (0.41) PTGS2PLGPRSS1PRSS2PRSS3
SCHEMBL2175633 0.92 PTGS2 (0.40) PTGS2ITGB3ITGAVLTB4R2
SCHEMBL2175630 0.92 PTGS2 (0.40) PTGS2ITGB3ITGAVLTB4R2
SCHEMBL2175536 0.90 PTGS2 (0.40) PTGS2HDAC1HDAC6PLGPRSS1
SCHEMBL2175533 0.90 PTGS2 (0.40) PTGS2HDAC1HDAC6PLGPRSS1
SCHEMBL2174734 0.90 PTGS2 (0.40) PTGS2HDAC1HDAC6PLGPRSS1
SCHEMBL2174613 0.87 ITGB3 (0.42) PTGS2HDAC1HDAC6PLGPRSS1
SCHEMBL2174985 0.86 PLG (0.42) PTGS2HDAC1HDAC6PLGPRSS1

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 3 patents. 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
EP-1742608-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϝ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-01-17 EP disclosed
WO-2005108352-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϜ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 WO disclosed