SCHEMBL4021675

SCHEMBL4021675

CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)C=CC(CC2CO2)CC2CO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
HIF1A Q16665 1/20 0.44
MIF P14174 2/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP3A4 P08684 2/20 0.36
AR P10275 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2864240 0.83 HPGD (0.46) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL1255106 0.77 ALDH1A1 (0.44) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL9237285 0.76 ALDH1A1 (0.45) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL9011361 0.76 ALDH1A1 (0.51) MAPTHPGDTSHRMEN1KMT2A
Bisphenol A SCHEMBL1880541 0.73 ALDH1A1 (0.42) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL2701815 0.73 HPGD (0.43) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL27938154 0.73 ESR1 (0.52) MAPTHPGDTSHRMEN1KMT2A
Fumaric Acid SCHEMBL11129348 0.73 ALDH1A1 (0.68) MAPTHPGDTSHRMEN1KMT2A
SCHEMBL21531599 0.73 ALDH1A1 (0.68) MAPTHPGDTSHRMEN1KMT2A
Bicarbonate SCHEMBL10771552 0.73 TSHR (0.53) MAPTHPGDTSHRMEN1KMT2A

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-1560557-B1 COMPOSITE MATERIAL AND USE OF A COMPOSITE MATERIAL VOCO GMBH (DE) 2009-07-01 EP disclosed