SCHEMBL5729518

SCHEMBL5729518

CC(C)OC(=O)NCc1[c]c(OCCCCOc2ccc(Oc3ccccc3)cc2)ccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.42
▸ PPARG P37231 3/20 0.42
▸ LTA4H P09960 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5729898 0.98 PPARA (0.42) PPARAPPARGLTA4HCYP1A2CYP2C9
SCHEMBL5730023 0.84 HPGD (0.50) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL5731178 0.80 HPGD (0.51) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL5728981 0.79 MAPT (0.44) PPARAPPARGKDM4ERAB9ANPC1
SCHEMBL5730663 0.76 NPC1 (0.52) LTA4HRAB9AHPGDNPC1ALDH1A1
SCHEMBL5730552 0.75 NPC1 (0.47) RAB9ALMNAHDAC1HDAC2HPGD
SCHEMBL4894729 0.74 PPARG (0.70) PPARAPPARGLTA4HPPARD
SCHEMBL5730171 0.73 PPARG (0.62) PPARAPPARG
SCHEMBL4893870 0.72 PPARG (0.70) PPARAPPARGLTA4HPPARD
SCHEMBL5730765 0.71 PPARG (0.50) PPARAPPARGPPARD

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
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 — — EP disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 — — EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 — — WO disclosed
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