SCHEMBL11057911

SCHEMBL11057911

COc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=O.O=C(O)CCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
FFAR1 O14842 2/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
PDE4B Q07343 1/20 0.50
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN1 P18031 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 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
SCHEMBL11056880 1.00 PPARG (0.51) PPARGFFAR1PPARDPPARAPDE4B
SCHEMBL11064734 1.00 PPARG (0.51) PPARGFFAR1PPARDPPARAPDE4B
Sebacic Acid SCHEMBL11059605 1.00 PPARG (0.51) PPARGFFAR1PPARDPPARAPDE4B
Azelaic Acid SCHEMBL11059958 1.00 PPARG (0.51) PPARGFFAR1PPARDPPARAPDE4B
Adipic Acid SCHEMBL11061203 0.98 PDE4B (0.51) PPARGFFAR1PPARDPPARAPDE4B
SCHEMBL2252533 0.81 CA1 (0.57) MAPTALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL7451901 0.81 CA1 (0.57) MAPTALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL21248415 0.81 MAPT (0.55) FFAR1MAPTL3MBTL1ALDH1A1GAA
SCHEMBL26311955 0.78 MAPT (0.59) FFAR1MAPTL3MBTL1POLBALDH1A1
SCHEMBL10885799 0.77 CA1 (0.53) MAPTALDH1A1CYP1A2HPGDCYP2C19

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-4444861-A POLYESTER FROM 2,6-DIMETHOXY-9,10-ANTHRACENEDIOL AND AN A,W-DICARBOXYLIC ACID ASHAI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-04-24 US disclosed