SCHEMBL2835702

SCHEMBL2835702

c1ccc(-c2cccc3ccc4ccccc4c23)c(-c2cccc3ccc4ccccc4c23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.67
ALDH1A1 P00352 9/20 0.67
TSHR P16473 7/20 0.67
MAPK1 P28482 5/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
ATM Q13315 3/20 0.67
HPGD P15428 6/20 0.56
CYP1A2 P05177 4/20 0.56
THRB P10828 1/20 0.56
CASP1 P29466 4/20 0.56
HIF1A Q16665 4/20 0.56
CYP2A6 P11509 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CASP7 P55210 3/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 4/20 0.52
DNMT1 P26358 2/20 0.52
PABPC1 P11940 1/20 0.52
HPRT1 P00492 1/20 0.48
CYP1B1 Q16678 2/20 0.48

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
SCHEMBL25412675 0.97 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL31171149 0.97 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
Fluoranthene SCHEMBL8344415 0.90 ALDH1A1 (0.75) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL5047563 0.88 ALDH1A1 (0.56) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
Pyrene SCHEMBL7758213 0.88 ALDH1A1 (0.71) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
Chrysene SCHEMBL16034318 0.86 ALDH1A1 (0.68) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
Triphenylene SCHEMBL21351780 0.84 ALDH1A1 (0.83) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL28263373 0.84 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
Benzo[E]Pyrene SCHEMBL4977467 0.83 ALDH1A1 (0.76) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1
Triphenylene SCHEMBL5783342 0.82 ALDH1A1 (0.62) HSD17B10ALDH1A1TSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709101-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2010-05-04 US disclosed
EP-1553155-B1 Organic electroluminescence device LG DISPLAY CO LTD (KR) 2008-10-29 EP disclosed
EP-1553155-A1 Organic electroluminescence device LG ELECTRONICS INC. (KR) 2005-07-13 EP disclosed
US-20050146268-A1 Organic electroluminescence device LG ELECTRONICS INC. 2005-07-07 US disclosed