SCHEMBL18399486

SCHEMBL18399486

CC(C)(O)c1cc(Oc2ccc(O)c(C(C)(O)C(F)(F)F)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.47
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.39
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 2/20 0.37
HSD11B1 P28845 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 2/20 0.35

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
SCHEMBL18399457 0.95 ESRRA (0.50) ESRRAHSP90AA1ALDH1A1GAANR1I2
SCHEMBL18399459 0.89 ESRRA (0.49) ESRRAHSP90AA1ALDH1A1GAANR1I2
SCHEMBL18399488 0.81 HSP90AA1 (0.45) HSP90AA1ALDH1A1NR1I2LMNACYP2C9
SCHEMBL18399485 0.81 ESRRA (0.54) ESRRAALDH1A1GAANR1I2LMNA
SCHEMBL16838066 0.81 AR (0.37) ESRRALMNAARHSD11B1L3MBTL1
SCHEMBL25288228 0.78 ESRRA (0.44) ESRRAHSP90AA1ALDH1A1ARPOLB
SCHEMBL15831658 0.78 AR (0.40) ESRRALMNAARHSD11B1L3MBTL1
SCHEMBL18400617 0.78 ESRRA (0.45) ESRRAALDH1A1LMNAALOX15HTT
SCHEMBL18399484 0.77 HSP90AA1 (0.42) HSP90AA1ALDH1A1NR1I2LMNACYP2C9
SCHEMBL15745076 0.77 NR4A1 (0.42) ESRRAALDH1A1ARHSD11B1MAPT

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