SCHEMBL2835699

SCHEMBL2835699

c1ccc2c(c1)ccc1c(-c3ccc(-c4cccc5c4ccc4ccccc45)cc3)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.67
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP2A6 P11509 1/20 0.57
TSHR P16473 1/20 0.57
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PAX8 Q06710 1/20 0.48
HIF1A Q16665 2/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
CYP1B1 Q16678 1/20 0.48
THRB P10828 1/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47

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
SCHEMBL30332938 0.98 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27620091 0.95 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL13505946 0.94 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27631995 0.93 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL443518 0.93 HPRT1 (0.64) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL23018789 0.90 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29877104 0.90 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL25088997 0.90 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL25088265 0.90 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL1527430 0.90 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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