SCHEMBL18399485

SCHEMBL18399485

CC(C)(O)c1cc(Oc2ccc(O)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LTA4H P09960 6/20 0.47
ALDH1A1 P00352 3/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
TYR P14679 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL18399459 0.83 ESRRA (0.49) ESRRAMEN1KMT2AESR1ESR2
SCHEMBL18399486 0.81 ESRRA (0.47) ESRRAALDH1A1NR1I2LMNACYP2C9
SCHEMBL1494105 0.79 ALDH1A1 (0.57) ESRRAMEN1KMT2AALDH1A1NR1I2
SCHEMBL18400618 0.79 MEN1 (0.47) ESRRAMEN1KMT2AESR1ESR2
SCHEMBL25288228 0.79 ESRRA (0.44) ESRRAESR1ESR2ALDH1A1
SCHEMBL7204289 0.79 ESRRA (0.72) ESRRAALDH1A1NR1I2LMNACYP2C9
SCHEMBL14283783 0.78 ALDH1A1 (0.71) ESR1ESR2ALDH1A1NR1I2LMNA
SCHEMBL12732654 0.78 MEN1 (0.54) ESRRAMEN1KMT2AESR1ESR2
SCHEMBL9623629 0.77 ESR1 (0.58) ESRRAMEN1KMT2AESR1ESR2
SCHEMBL3957209 0.76 MEN1 (0.70) MEN1KMT2AESR1ESR2LTA4H

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-9550711-B2 Fluorine-containing polymerizable monomer and polymer compound using same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-01-24 US disclosed