SCHEMBL1133495

SCHEMBL1133495

CCCCCCCCCCCCc1ccc(C(C)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.60
ADRA2A P08913 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TACR2 P21452 2/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
SHBG P04278 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
HSPD1 P10809 1/20 0.60
ADRB3 P13945 1/20 0.60
HTR2C P28335 1/20 0.60
HSPE1 P61604 1/20 0.60
HIF1A Q16665 1/20 0.60
TST Q16762 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL9808869 1.00 ESR1 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9479954 1.00 ESR1 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9478972 1.00 ESR1 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL13219975 1.00 ESR1 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6130141 1.00 ESR1 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3959914 1.00 ESR1 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9324237 0.98 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9805784 0.93 RARB (0.56) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10333376 0.93 RARB (0.56) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3952158 0.92 CA2 (0.52) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2286416-B1 NOVEL POLYTHIOPHENE POLYANION COMPLEXES IN HOMOPOLAR ORGANIC SOLVENTS HERAEUS DEUTSCHLAND GMBH & CO KG (DE) 2017-09-13 EP disclosed
EP-3114150-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-11 EP disclosed
WO-2015134591-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2015-09-11 WO disclosed
US-8721929-B2 Polythiophene polyanion complexes in homopolar organic solvents HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2014-05-13 US disclosed
US-20110168946-A1 NOVEL POLYTHIOPHENE POLYANION COMPLEXES IN HOMOPOLAR ORGANIC SOLVENTS H.C. STARCK CLEVIOS GMBH (DE) 2011-07-14 US disclosed
EP-2286416-A1 NOVEL POLYTHIOPHENE POLYANION COMPLEXES IN HOMOPOLAR ORGANIC SOLVENTS Heraeus Clevios GmbH (DE) 2011-02-23 EP disclosed
WO-2009135752-A1 NOVEL POLYTHIOPHENE POLYANION COMPLEXES IN HOMOPOLAR ORGANIC SOLVENTS H.C. STARCK CLEVIOS GMBH (DE) 2009-11-12 WO disclosed