SCHEMBL13699106

SCHEMBL13699106

COc1cc(-c2nc(OC(C)C)cs2)ccc1OCCCOc1ccc2c(ccn2CC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.57
PPARA Q07869 16/20 0.57
ALDH1A1 P00352 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PPARG P37231 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL2000633 0.89 PPARD (0.62) PPARDPPARAALDH1A1KDM4EPPARG
SCHEMBL12568380 0.88 PPARD (0.58) PPARDPPARAALDH1A1HDAC3HDAC1
SCHEMBL2000974 0.83 PPARD (0.60) PPARDPPARAALDH1A1HDAC3HDAC1
SCHEMBL12568616 0.79 PPARD (0.60) PPARDPPARAALDH1A1HDAC3HDAC1
SCHEMBL2001467 0.76 PPARD (0.61) PPARDPPARAALDH1A1KDM4EPPARG
SCHEMBL12568649 0.75 PPARD (0.58) PPARDPPARAALDH1A1HDAC3HDAC1
SCHEMBL2004738 0.75 PPARD (0.62) PPARDPPARAALDH1A1KDM4EGAA
SCHEMBL2000192 0.74 PPARD (0.60) PPARDPPARAALDH1A1HDAC3HDAC1
SCHEMBL13606610 0.73 PPARD (0.70) PPARDPPARA
SCHEMBL12568546 0.73 PPARD (0.57) PPARDPPARAPPARG

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
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed