SCHEMBL6279166

SCHEMBL6279166

CCCCCCCC(=O)N(C)Cc1cc(-c2ccccc2)ccc1Nc1c(C)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
LTB4R2 Q9NPC1 4/20 0.40
RARB P10826 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CLCN2 P51788 1/20 0.38
PTGS2 P35354 1/20 0.38
AGTR1 P30556 1/20 0.37

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
SCHEMBL5363474 0.81 LTB4R2 (0.44) LTB4R2
SCHEMBL6254007 0.79 LTB4R2 (0.42) LTB4R2RARBAGTR1
SCHEMBL5358339 0.78 LTB4R2 (0.44) LTB4R2RARB
SCHEMBL6279162 0.78 ALDH1A1 (0.37) RARBCLCN2PTGS2
SCHEMBL5360863 0.77 AOC3 (0.48) LTB4R2
SCHEMBL5355948 0.76 AOC3 (0.49) LTB4R2
SCHEMBL4972529 0.75 PTGER1 (0.43) LTB4R2BCHEACHE
SCHEMBL5361008 0.74 AOC3 (0.47) LTB4R2
SCHEMBL5371478 0.73 LTB4R2 (0.49) LTB4R2AGTR1
SCHEMBL5367291 0.72 AOC3 (0.49) LTB4R2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP disclosed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO disclosed