SCHEMBL16348406

SCHEMBL16348406

COC(=O)C(Oc1ccc(Cl)cc1-n1nc(C)c(C)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSPO P30536 1/20 0.44
LMNA P02545 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PKM P14618 1/20 0.40
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
PLAU P00749 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL13523147 0.91 PPARG (0.49) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL16348349 0.90 PPARG (0.58) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL16348410 0.85 PPARG (0.59) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL16348330 0.83 TSPO (0.59) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL13523097 0.82 ALDH1A1 (0.42) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL10621819 0.81 TSHR (0.56) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL13523136 0.81 KDM4E (0.48) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL13374080 0.79 PPARG (0.63) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL13374081 0.79 PPARG (0.63) PPARAPPARGALDH1A1NPSR1L3MBTL1
SCHEMBL5644684 0.79 PPARG (0.63) PPARAPPARGALDH1A1NPSR1L3MBTL1

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-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed