SCHEMBL900979

SCHEMBL900979

CC(Cc1ccc(O)cc1)c1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.61
ESR2 Q92731 3/20 0.61
TAAR1 Q96RJ0 3/20 0.53
SLC6A2 P23975 2/20 0.53
ADRB2 P07550 13/20 0.46
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB1 P08588 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRB3 P13945 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL27981745 1.00 ESR1 (0.61) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL1100916 0.92 ESR1 (0.46) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL1648988 0.88 ESR1 (0.71) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL10456437 0.85 ESR1 (0.67) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL8580067 0.85 MAOA (0.52) TAAR1SLC6A2ADRB2CYP2D6SLC6A4
SCHEMBL1128548 0.84 ESR1 (0.61) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL28215703 0.84 ESR1 (0.51) ESR1ESR2TAAR1SLC6A2ADRB2
SCHEMBL3260417 0.83 ADRB2 (0.50) TAAR1SLC6A2ADRB2SLC6A4SLC6A3
SCHEMBL1099930 0.83 ADRB2 (0.47) TAAR1SLC6A2ADRB2CYP3A4SLC6A4
SCHEMBL25380112 0.82 ESR1 (0.73) ESR1ESR2TAAR1SLC6A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621990-A2 THERMOSETTABLE COMPOSITIONS AND THERMOSETS THEREFROM Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
EP-2621994-A1 EPOXY RESIN COMPOSITIONS Dow Global Technologies LLC (US) 2013-08-07 EP disclosed
EP-2563835-A1 EPOXY POLYCYCLOPENTADIENE COMPOUNDS Dow Global Technologies LLC (US) 2013-03-06 EP disclosed
EP-2507285-A2 COMPOSITE COMPOSITIONS Dow Global Technologies LLC (US) 2012-10-10 EP disclosed
EP-2507325-A1 COATING COMPOSITIONS Dow Global Technologies LLC (US) 2012-10-10 EP disclosed
EP-2507283-A1 EPOXY RESIN COMPOSITIONS Dow Global Technologies LLC (US) 2012-10-10 EP disclosed
WO-2012047420-A2 THERMOSETTABLE COMPOSITIONS AND THERMOSETS THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-12 WO disclosed
WO-2012044443-A1 EPOXY RESIN COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-04-05 WO disclosed
WO-2011136843-A1 EPOXY POLYCYCLOPENTADIENE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-03 WO disclosed
WO-2011068645-A1 COATING COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed
WO-2011068643-A2 COMPOSITE COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed
WO-2011068644-A1 EPOXY RESIN COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed