SCHEMBL6995735

SCHEMBL6995735

CCOC(=O)C(C)(C)Oc1ccc(OCCc2coc(-c3ccc(C(C)(C)C)c(O)c3C(C)(C)C)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.40
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
FBP1 P09467 5/20 0.39
PPARG P37231 12/20 0.37
PPARD Q03181 3/20 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
SCHEMBL6994584 0.89 PPARA (0.46) PPARAPPARGPPARD
SCHEMBL5105209 0.85 PPARA (0.43) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14176222 0.80 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5105508 0.73 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL7139081 0.70 PPARA (0.55) PPARAPPARGPPARD
SCHEMBL5099341 0.69 PPARG (0.67) PPARAPPARGPPARD
SCHEMBL6958967 0.68 PPARG (0.44) PPARAPPARG
SCHEMBL13905182 0.67 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14176395 0.67 PPARA (0.49) PPARAPPARGPPARD
SCHEMBL5098579 0.67 PPARA (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed