SCHEMBL4056401

SCHEMBL4056401

COC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
SLC6A2 P23975 4/20 0.45
TAAR1 Q96RJ0 4/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
MAOA P21397 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
EPHX1 P07099 2/20 0.43
SLC18A2 Q05940 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 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
Bicarbonate SCHEMBL28105724 0.92 EPHX1 (0.49) EPHX1ACP3LAP3
SCHEMBL7006959 0.87 ESR1 (0.47) SIGMAR1SLC6A2TAAR1ADRA1AOPRM1
SCHEMBL14137752 0.87 SOAT1 (0.44) SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL28131612 0.84 SIGMAR1 (0.48) SIGMAR1HTR2A
SCHEMBL14119146 0.82 SLC7A5 (0.48) SIGMAR1TAAR1ALDH1A1TRPA1
SCHEMBL971331 0.82 SLC6A2 (0.47) SIGMAR1SLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL8269660 0.82 LMNA (0.48) SLC6A2TAAR1SLC6A4SLC6A3CYP2D6
SCHEMBL1068693 0.82 LMNA (0.48) SLC6A2TAAR1SLC6A4SLC6A3CYP2D6
SCHEMBL11915432 0.82 LMNA (0.48) SLC6A2TAAR1SLC6A4SLC6A3CYP2D6
SCHEMBL15201532 0.80 LMNA (0.46) SLC6A2TAAR1SLC6A4SLC6A3CYP2D6

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
US-12038121-B2 Heat conservation-insulating material coated with UV curing-type film and having maximized heat efficiency, and method for manufacturing same SEWOON T&S CO., LTD. (KR) 2024-07-16 US disclosed
US-20240019781-A1 DISPERSION RESIN, PREPARATION METHOD THEREFOR AND PHOTORESIST COMPOSITION Shenzhen Brthrborder Semiconductor Materials Co., Ltd. (CN) 2024-01-18 US disclosed
US-11667762-B2 UV-initiated reactions in polymeric materials THE GENERAL HOSPITAL CORPORATION (US) 2023-06-06 US disclosed
CN-107698622-B Organic electronic device comprising a layer containing at least one metal-organic compound and at least one metal oxide UDC 爱尔兰有限责任公司 2021-06-29 CN disclosed
WO-2015138563-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 WO disclosed
CN-102317757-B OPTICALLY ACTIVE FUNCTIONAL FLUID MARKERS LUBRIZOL CORP 2015-02-18 CN disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed
WO-2005066390-A2 ELECTROCHEMICAL ALKOXYLATING OXIDATIVE CARBON-CARBON BOND CLEAVAGE IN 1,2-DIPHENYLETHANE AND DERIVATIVES THEREOF ON A DIAMOND ELECTRODE BASF AKTIENGESELLSCHAFT (DE) 2005-07-21 WO disclosed
EP-1016653-B1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK CO (US) 2004-02-25 EP disclosed
US-6172260-B1 Preparation of high dye-yield couplers and intermediates useful therein EASTMAN KODAK COMPANY 2001-01-09 US disclosed
US-6124503-A Processes for making and using alkylaminoarylcarbonyl compounds EASTMAN KODAK COMPANY (US) 2000-09-26 US disclosed
EP-1016653-A1 Preparation of high-dye yield couplers and intermediates useful therein EASTMAN KODAK COMPANY (US) 2000-07-05 EP disclosed