SCHEMBL80498

SCHEMBL80498

CCCCCCc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.65
ADRA2A P08913 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
TACR2 P21452 2/20 0.65
SLC6A2 P23975 2/20 0.65
SLC6A4 P31645 2/20 0.65
SLC6A3 Q01959 2/20 0.65
ALDH1A1 P00352 2/20 0.65
HSD17B10 Q99714 2/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.65
SHBG P04278 1/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
HSPD1 P10809 1/20 0.65
ADRB3 P13945 1/20 0.65
HTR2C P28335 1/20 0.65
HSPE1 P61604 1/20 0.65
HIF1A Q16665 1/20 0.65
TST Q16762 1/20 0.65

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
SCHEMBL175632 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL396014 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10762522 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL395650 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL168031 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9678943 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
Octane SCHEMBL9724037 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL167114 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL21963890 1.00 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7649256 1.00 ESR1 (0.65) 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

Appears in 4211 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113931003-A Thermal sublimation transfer printing coating with uniform temperature rise and functional micromolecule preparation process thereof 绍兴高塔新材料科技有限公司 2022-01-14 CN claimed
CN-111704577-A Preparation method of cinacalcet hydrochloride 华北水利水电大学 2020-09-25 CN claimed
CN-107915656-A The preparation method of methanesulfonic acid safinamide 孙婷婷 2018-04-17 CN claimed
US-9120715-B2 Alkylation of aromatic substrates TOTAL PETROCHEMICALS FRANCE (FR) 2015-09-01 US claimed
US-8940467-B2 Toner CANON KABUSHIKI KAISHA (JP) 2015-01-27 US claimed
US-20140206917-A1 Alkylation of Aromatic Substrates TOTAL PETROCHEMICALS FRANCE (FR) 2014-07-24 US claimed
US-20130244165-A1 TONER CANON KABUSHIKI KAISHA (JP) 2013-09-19 US claimed
US-8536395-B2 Catalyst with an ion-modified binder FINA TECHNOLOGY, INC. (US) 2013-09-17 US claimed
US-20120095250-A1 CATALYST WITH AN ION-MODIFIED BINDER FINA TECHNOLOGY, INC. (US) 2012-04-19 US claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
US-6552209-B1 Such as reacting tantalum pentachloride with tertbutylamine and pyridine; stripping solvent and extracting into tetra-hydrofuran; adding extract to fresh in situ prepared lithium diethylamine solution; high yield and purity AIR PRODUCTS AND CHEMICALS, INC. 2003-04-22 US claimed
US-6384246-B1 ALCOHOL SOLVENT EXTRACTION, ADSORPTION, FURTHER EXTRACTION WITH ALIPHATIC HYDROCARBON AND CHLORINATED HYDROCARBON SOLVENT COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-05-07 US claimed
US-5354860-A Process for making pure S-timolol hemihydrate SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-10-11 US claimed
EP-0440684-B1 NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION LEIRAS OY (FI) 1994-09-28 EP claimed
EP-0440684-A1 NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION. HUHTAMAEKI YHTHYMAE OY (FI) 1991-08-14 EP claimed
WO-1990004592-A1 NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION Huhtamäki Oy (FI) 1990-05-03 WO claimed
US-4752651-A FROM AN ALIPHATIC HETERO COMPOUND USING AN AROMATIC DILUENT AND A NONZEOLITIC MOLECUAR SIEVE CATALYST UNION CARBIDE CORPORATION (US) 1988-06-21 US claimed
JP-11116580-A None JP disclosed
US-3932479-A BRONCHODILATOR, HYPOTENSIVE, ANTIULCER AMERICAN CYANAMID COMPANY (US) 1976-01-13 US disclosed
US-3931256-A Chemical process for production of bile acids INTELLECTUAL PROPERTY DEVELOPMENT CORPORATION (US) 1976-01-06 US disclosed