SCHEMBL7633166

SCHEMBL7633166

CC(=CC(OCC1CO1)C1CO1)C(=O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
HIF1A Q16665 1/20 0.45
MIF P14174 1/20 0.36
AR P10275 2/20 0.33
ESR1 P03372 2/20 0.33
CYP3A4 P08684 2/20 0.33
ESR2 Q92731 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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 0.84 HPGD (0.46) HPGDTSHRMAPTTP53MEN1
SCHEMBL7923720 0.78 KMT2A (0.50) HPGDTSHRMAPTTP53MEN1
SCHEMBL1832059 0.77 HPGD (0.42) HPGDTSHRMAPTTP53MEN1
Methacrylic Acid SCHEMBL3864596 0.75 KMT2A (0.47) HPGDTSHRMAPTTP53MEN1
SCHEMBL9011361 0.74 ALDH1A1 (0.51) HPGDTSHRMAPTTP53MEN1
Bicarbonate SCHEMBL10771552 0.74 TSHR (0.53) HPGDTSHRMAPTTP53MEN1
SCHEMBL7457186 0.73 ESR1 (0.50) HPGDTSHRMAPTMEN1KMT2A
SCHEMBL934478 0.73 ESR1 (0.50) HPGDTSHRMAPTMEN1KMT2A
SCHEMBL1255106 0.73 ALDH1A1 (0.44) HPGDTSHRMAPTTP53MEN1
SCHEMBL3389975 0.73 KMT2A (0.44) HPGDTSHRMAPTTP53MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776917-B1 Core/Shell particles and epoxy resin compositions containing them VANTICO AG (CH) 2002-05-29 EP claimed
EP-0776917-A2 Core/Shell particles and epoxy resin compositions containing them Ciba SC Holding AG (CH) 1997-06-04 EP claimed
EP-0776917-B1 Core/Shell particles and epoxy resin compositions containing them VANTICO AG (CH) 2002-05-29 EP disclosed
EP-0776917-A2 Core/Shell particles and epoxy resin compositions containing them Ciba SC Holding AG (CH) 1997-06-04 EP disclosed
EP-0399954-A2 Reinforcing material CIBA-GEIGY AG (CH) 1990-11-28 EP disclosed