SCHEMBL4779835

SCHEMBL4779835

CC(C)(O)C=O.CC(C)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 1/20 0.48
TYR P14679 4/20 0.47
ESR1 P03372 7/20 0.46
ESR2 Q92731 6/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ESRRG P62508 2/20 0.46
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
AR P10275 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DEGS1 O15121 1/20 0.41

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
SCHEMBL28954 0.80 ESR1 (0.68) CYP2D6CYP2C9HIF1ATYRESR1
Hydroquinone SCHEMBL9580215 0.80 ESR1 (0.68) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL1070864 0.79 ESR1 (0.70) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL7917275 0.79 ESR1 (0.59) CYP2D6CYP2C9HIF1ATYRESR1
Formaldehyde SCHEMBL11409856 0.78 ESR1 (0.59) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL29133983 0.78 ESR1 (0.65) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL30171502 0.78 ESR1 (0.65) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL28657617 0.78 ESR1 (0.65) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL28800543 0.78 ESR1 (0.65) CYP2D6CYP2C9HIF1ATYRESR1
SCHEMBL13585038 0.78 CYP2C9 (0.55) CYP2D6CYP2C9HIF1ATYRTSHR

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
WO-2008018747-A1 COMPOSITIONS COMPRISING ELECTROMAGNETIC SHIELDING MATERIALS AND THE SHEETS USING THE SAME LG CHEM, LTD. (KR) 2008-02-14 WO disclosed