Ethane

Ethane

SCHEMBL1470698

CC.CC.NC(O)=S.NC(O)=S.O.O.O.[NaH]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Ethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.31
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31

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
Ethane SCHEMBL27077013 0.96 TSHR (0.39) TSHRATMATR
Ethane SCHEMBL3277498 0.95 TSHR (0.46) TSHRATMATRALDH1A1HSD17B10
Ethane SCHEMBL1223967 0.95 TSHR (0.46) TSHRATMATRALDH1A1HSD17B10
Water SCHEMBL27737372 0.91
Ethane SCHEMBL5689604 0.91 TSHR (0.50) TSHRATMATRALDH1A1HSD17B10
Ethane SCHEMBL29145655 0.91 TSHR (0.50) TSHRATMATRALDH1A1HSD17B10
Water SCHEMBL29156411 0.91 TSHR (0.50) TSHRATMATRALDH1A1HSD17B10
Ethane SCHEMBL667631 0.91 TSHR (0.50) TSHRATMATRALDH1A1HSD17B10
Ethane SCHEMBL4087796 0.86 TSHR (0.46) TSHRATMATRALDH1A1HSD17B10
Ethane SCHEMBL9345735 0.86 TSHR (0.46) TSHRATMATRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8928028-B2 Organic electroluminescence element including metal doped molybdenum oxide layer and method for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-06 US disclosed
EP-2184794-B1 ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING METAL-DOPED MOLYBDENUM OXIDE LAYER AND METHOD FOR MANUFACTURING THE SAME SUMITOMO CHEMICAL CO (JP) 2013-07-17 EP disclosed
US-20110068327-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT INCLUDING METAL DOPED MOLYBDENUM OXIDE LAYER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-24 US disclosed
EP-2184794-A1 ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING METAL-DOPED MOLYBDENUM OXIDE LAYER AND METHOD FOR MANUFACTURING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-12 EP disclosed
US-4919830-A Dithiocarbamate-derived phosphates as antioxidant/antiwear multifunctional additives MOBIL OIL CORPORATION (US) 1990-04-24 US disclosed