SCHEMBL8768101

SCHEMBL8768101

CCOC(=O)C(C)(C)Oc1ccc(CC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.54
ABCB11 O95342 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
HTR2A P28223 1/20 0.54
PMP22 Q01453 1/20 0.54
PPARG P37231 14/20 0.47
FBP1 P09467 1/20 0.46
PPARD Q03181 2/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL6741995 0.81 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3288292 0.80 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2824491 0.80 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
Bromide SCHEMBL8922962 0.80 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3341525 0.79 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1550078 0.78 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1349983 0.78 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14584455 0.77 PPARG (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4111625 0.77 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13763797 0.77 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR

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-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP disclosed
EP-0621255-A1 Substituted phenoxy-isobutyric acids and esters ADIR ET COMPAGNIE (FR) 1994-10-26 EP disclosed