SCHEMBL2440481

SCHEMBL2440481

CCCC(N)CCc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.44
S1PR1 P21453 6/20 0.42
S1PR2 O95136 5/20 0.42
S1PR3 Q99500 5/20 0.42
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
PPARG P37231 5/20 0.40
S1PR4 O95977 2/20 0.39
ADRB3 P13945 3/20 0.37

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
SCHEMBL14397663 0.89 PPARA (0.41) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3686993 0.88 PPARA (0.56) PPARAS1PR1S1PR2S1PR3ABCB11
SCHEMBL4575316 0.80 PPARA (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL25299494 0.78 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14277886 0.78 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399507 0.77 EPHX1 (0.45) PPARAPPARG
SCHEMBL7094948 0.77 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2440537 0.76 PPARG (0.45) PPARAPPARG
SCHEMBL1586472 0.76 PPARA (0.54) PPARAPPARG
SCHEMBL318984 0.75 PPARG (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433786-B1 Benzoxazole compound and pharmaceutical composition containing the compound KOWA CO (JP) 2011-09-21 EP disclosed