SCHEMBL1661434

SCHEMBL1661434

CCCCCc1[c]c(CCCCC)c(CCCCC)c(CCCCC)c1CCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
TYMP P19971 3/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
PTGS2 P35354 4/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX5 P09917 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
HSPD1 P10809 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
SCHEMBL1658512 0.98 TSHR (0.38) CYP19A1TYMPTSHRTHRBPTGS2
SCHEMBL1659854 0.98 TSHR (0.38) CYP19A1TYMPTSHRTHRBPTGS2
SCHEMBL1659801 0.98 TSHR (0.38) CYP19A1TYMPTSHRTHRBPTGS2
SCHEMBL258328 0.98 TSHR (0.38) CYP19A1TYMPTSHRTHRBPTGS2
SCHEMBL1661428 0.98 TSHR (0.38) CYP19A1TYMPTSHRTHRBPTGS2
SCHEMBL1659881 0.98 TSHR (0.38) CYP19A1TYMPTSHRTHRBPTGS2
SCHEMBL1659876 0.92 HTT (0.37) TYMPTSHRKDM4ELMNANPC1
SCHEMBL3589085 0.85 ALDH1A1 (0.35) CYP19A1TYMPTSHRTHRBALDH1A1
SCHEMBL3599430 0.83 CYP19A1 (0.38) CYP19A1PTGS2CYP3A4ALOX5ESR1
SCHEMBL5204838 0.83 FAAH (0.41) CYP19A1CYP3A4ADORA3SLC6A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9048442-B2 Composition containing a metal complex and organic compound, and light-emitting element using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-02 US disclosed
EP-2305772-B1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-05-20 EP disclosed
US-20110114890-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT-EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
EP-2305772-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-04-06 EP disclosed
US-20100327267-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-30 US disclosed
EP-2221898-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND METHOD FOR MANUFACTURING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-08-25 EP disclosed
US-20100171104-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND DISPLAY USING THE DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-08 US disclosed
EP-2173141-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY USING THE DEVICE Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed