SCHEMBL5077831

SCHEMBL5077831

O=C(O)CSCCCC(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 1/20 0.42
CES1 P23141 6/20 0.40
FAAH O00519 4/20 0.38
CES2 O00748 2/20 0.38
PLA2G6 O60733 1/20 0.38
BHMT Q93088 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL9943476 0.94 GMNN (0.50) GMNNTP53POLBMAPTTHRB
SCHEMBL9943872 0.92 GMNN (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL9943837 0.89 GMNN (0.44) GMNNTP53POLBMAPTTHRB
SCHEMBL9943488 0.88 CYP2D6 (0.46) GMNNTP53POLBMAPTTHRB
SCHEMBL9943886 0.87 THRB (0.43) GMNNTP53POLBMAPTTHRB
SCHEMBL9943878 0.83 GMNN (0.50) GMNNTP53POLBMAPTTHRB
SCHEMBL9943893 0.83 GMNN (0.47) GMNNTP53POLBMAPTTHRB
SCHEMBL9943683 0.80 GMNN (0.52) GMNNTP53POLBMAPTTHRB
SCHEMBL9943715 0.78 GMNN (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL9943758 0.77 GMNN (0.44) GMNNTP53POLBMAPTTHRB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7321044-B2 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-22 US claimed
EP-2788321-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAID 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, AND USE THEREOF TO PRODUCE DRUGS Bayer Intellectual Property GmbH (DE) 2014-10-15 EP disclosed
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
WO-2013083568-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAID 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, AND USE THEREOF TO PRODUCE DRUGS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 WO disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-7321044-B2 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-22 US disclosed
EP-1187846-B1 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2007-04-18 EP disclosed
US-7145015-B2 Benzocycloheptenes, process for their production, pharmaceutical preparations that contain that latter as well as their use for the production of pharmaceutical agents SCHERING AG (DE) 2006-12-05 US disclosed
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
EP-1098874-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2001-05-16 EP disclosed
US-6153768-A RECEPTOR BLOCKING ANTIESTROGENS HAVING REDUCED SIDE EFFECTS C & C RESEARCH LABORATORIES (KR) 2000-11-28 US disclosed
WO-2000003979-A1 BENZOCYCLOHEPTENES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR USE FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-27 WO disclosed
US-5986115-A STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS SCHERING AG (DE) 1999-11-16 US disclosed
EP-0944613-A1 NOVEL BENZOPYRAN DERIVATIVES C & C Research Laboratories (KR) 1999-09-29 EP disclosed
US-5866560-A ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 1999-02-02 US disclosed
US-5807899-A Triphenylethylenes, process for their production, pharmaceutical preparations that contain these triphenylethylenes as well as their use for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
WO-1998025916-A1 NOVEL BENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1998-06-18 WO disclosed
EP-0839130-A1 TRIPHENYL ETHYLENES WITH ANTI-OESTROGENIC PROPERTIES SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-06 EP disclosed
WO-1997003046-A1 TRIPHENYL ETHYLENES WITH ANTI-OESTROGENIC PROPERTIES SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed