SCHEMBL12286646

SCHEMBL12286646

Cc1cccc(-c2cc(C(C)(C)c3ccc(O)cc3)cc(C)c2O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.54
ESR2 Q92731 5/20 0.54
CYP3A4 P08684 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
AR P10275 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR6 P50406 1/20 0.50
ESRRG P62508 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CNR1 P21554 4/20 0.38
CNR2 P34972 4/20 0.38
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
TRPA1 O75762 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
Bisphenol A SCHEMBL18662365 0.83 ESR1 (0.67) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL728306 0.81 ESR1 (0.70) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL728277 0.76 ESR1 (0.44) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL23861508 0.76 ESR1 (0.51) ESR1ESR2CYP3A4HPGDHSD17B10
SCHEMBL686758 0.75 ESR1 (0.60) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL13609973 0.75 ESR1 (0.59) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL17712324 0.75 GABRA1 (0.60) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL10902807 0.74 ESR1 (0.53) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL10935934 0.73 ESR1 (0.71) ESR1ESR2CYP3A4HPGDTSHR
SCHEMBL1416326 0.73 ESR1 (0.71) ESR1ESR2CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493610-B2 Low molecular weight polyphenylene ether prepared without solvents POLYONE CORPORATION (US) 2016-11-15 US disclosed
US-20160102174-A1 LOW MOLECULAR WEIGHT POLYPHENYLENE ETHER PREPARED WITHOUT SOLVENTS POLYONE CORPORATION (US) 2016-04-14 US disclosed
US-8552123-B2 Thermosetting resin, composition including the same, and printed board fabricated using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-10-08 US disclosed
US-20110236701-A1 THERMOSETTING RESIN, COMPOSITION INCLUDING THE SAME, AND PRINTED BOARD FABRICATED USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-09-29 US disclosed