SCHEMBL5762933

SCHEMBL5762933

CN(C(=O)Nc1ccc2ccccc2c1)c1cccc(-c2ccc(CCC(=O)O)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.49
CYP1A2 P05177 1/20 0.46
FFAR4 Q5NUL3 7/20 0.45
DGAT1 O75907 1/20 0.43
GNA15 P30679 1/20 0.41
PTGER3 P43115 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
MCHR1 Q99705 1/20 0.41
EPHX1 P07099 1/20 0.40
MAP4K4 O95819 1/20 0.40
TNIK Q9UKE5 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL5763387 0.86 PSMB5 (0.39) FFAR1CYP1A2MCHR1ROCK2ROCK1
SCHEMBL2083890 0.83 FFAR1 (0.50) FFAR1CYP1A2FFAR4GNA15PTGER3
SCHEMBL5762465 0.82 PPARA (0.43)
SCHEMBL1750030 0.82 PPARA (0.43)
SCHEMBL6888684 0.81 FFAR1 (0.44) FFAR1FFAR4GNA15PTGER3TDP1
SCHEMBL1749405 0.81 PPARG (0.40) KDM4ELMNAGAAMAPTMAPK1
SCHEMBL5762462 0.79 FFAR1 (0.46) FFAR1
SCHEMBL5762390 0.78 NPC1 (0.44) FFAR1FFAR4
SCHEMBL5760247 0.77 CNR1 (0.37) FFAR1ROCK2KDM4EGAAMAPT
SCHEMBL67830 0.76 HPGD (0.45) FFAR1FFAR4EPHX1

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-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO disclosed