SCHEMBL6252541

SCHEMBL6252541

CCCCCCCC(=O)NCc1cccc(-c2ccc(Nc3ccccc3C(=O)NN)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.51
FAAH O00519 4/20 0.46
TRPV1 Q8NER1 1/20 0.45
AOC3 Q16853 2/20 0.45
PADI1 Q9ULC6 1/20 0.45
PADI3 Q9ULW8 1/20 0.45
PADI4 Q9UM07 1/20 0.45
PADI2 Q9Y2J8 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL5365810 0.83 AOC3 (0.48) AOC3
SCHEMBL10031025 0.77 MEN1 (0.71) EPHX2FAAHTRPV1AOC3PADI1
SCHEMBL5362814 0.76 KCNB1 (0.42)
SCHEMBL5355946 0.76 KDM4C (0.42)
SCHEMBL5360875 0.76 PTPN11 (0.44) AOC3
SCHEMBL5360954 0.75 ALOX15 (0.42) EPHX2
SCHEMBL5365598 0.75 PTPN11 (0.41) AOC3LTB4R2
SCHEMBL4970472 0.74 EPHX2 (0.61) EPHX2FAAHTRPV1CNR1CNR2
SCHEMBL10031029 0.74 MEN1 (0.71) EPHX2FAAHTRPV1AOC3PADI1
SCHEMBL2762512 0.74 EPHX2 (0.79) EPHX2FAAHTRPV1CNR1CNR2

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