SCHEMBL8152308

SCHEMBL8152308

C=CCCCCCC(CN)c1ccc(OC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.47
CYP3A4 P08684 2/20 0.47
ABCB11 O95342 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 1/20 0.47
PMP22 Q01453 1/20 0.47
FBP1 P09467 12/20 0.43
PPARG P37231 3/20 0.40
ALDH1A1 P00352 2/20 0.33
OPRK1 P41145 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8152311 0.81 PPARA (0.47) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL3686992 0.75 PPARA (0.56) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL14398599 0.75 PPARA (0.61) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL3686994 0.73 PPARA (0.56) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL10590453 0.70 PPARA (0.66) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL10590114 0.70 PPARA (0.66) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL23040068 0.69 PPARA (0.68) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL1549122 0.69 PPARA (0.68) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL3823703 0.69 PPARA (0.71) PPARACYP3A4ABCB11CYP1A2TSHR
SCHEMBL11548436 0.68 PPARA (0.76) PPARACYP3A4ABCB11CYP1A2TSHR

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
US-6028109-A Use of agonists of the peroxisome proliferator activated receptor alpha for treating obesity GLAXO WELLCOME INC. (US) 2000-02-22 US disclosed
WO-1997036579-A1 USE OF AGONISTS OF THE PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA FOR TREATING OBESITY GLAXO GROUP LIMITED (GB) 1997-10-09 WO disclosed