SCHEMBL28008684

SCHEMBL28008684

CCCCCOC(=O)CCCc1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
PPARA Q07869 4/20 0.50
PPARG P37231 3/20 0.50
DGKA P23743 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 1/20 0.45
P2RY10 O00398 1/20 0.45

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
SCHEMBL3946860 0.96 TDP1 (0.49) EPHX2PPARAPPARGDGKATDP1
SCHEMBL16673191 0.93 PPARA (0.52) EPHX2PPARAPPARGDGKACNR1
SCHEMBL16673215 0.93 PPARA (0.48) EPHX2PPARAPPARGDGKATDP1
SCHEMBL16672900 0.89 PPARA (0.50) EPHX2PPARAPPARGTDP1CNR1
SCHEMBL16672618 0.89 PPARG (0.46) EPHX2PPARAPPARGTDP1
SCHEMBL765924 0.87 ALOX5 (0.57) PPARAPPARGTDP1ALOX5
SCHEMBL16672452 0.83 PPARA (0.49) PPARAPPARGCNR1CNR2
SCHEMBL19066560 0.83 EPHX2 (0.51) EPHX2PPARAPPARGALDH1A1
SCHEMBL25319096 0.83 TDP1 (0.60) EPHX2DGKATDP1ALDH1A1ALOX5
SCHEMBL19119202 0.83 TDP1 (0.60) EPHX2DGKATDP1ALDH1A1ALOX5

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
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed