SCHEMBL17932006

SCHEMBL17932006

CC1(C)c2cc(-c3ccc4c(c3)oc3ccc5ccccc5c34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.36
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
PAX8 Q06710 2/20 0.33
NPC1 O15118 2/20 0.33
AHR P35869 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
HCRTR1 O43613 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL17943917 0.93 ABCG2 (0.38) ABCG2CYP1A1TDP1PAX8NPC1
SCHEMBL20127575 0.92 ABCG2 (0.35) ABCG2CYP1A1TDP1PAX8NPC1
SCHEMBL10122555 0.92 ABCG2 (0.37) ABCG2CYP1A1CYP1B1LPLLIPG
SCHEMBL17944296 0.91 ABCG2 (0.34) ABCG2TDP1PAX8NPC1AHR
SCHEMBL20127585 0.91 ABCG2 (0.34) ABCG2CYP1A1TDP1PAX8NPC1
SCHEMBL10122702 0.91 ABCG2 (0.34) ABCG2CYP1A1TDP1PAX8NPC1
SCHEMBL10122700 0.91 ABCG2 (0.34) ABCG2CYP1A1TDP1PAX8NPC1
SCHEMBL19080875 0.90 ABCG2 (0.34) ABCG2CYP1A1LPLLIPGTDP1
SCHEMBL19080861 0.90 LPL (0.34) ABCG2CYP1A1CYP1B1LPLLIPG
SCHEMBL20127595 0.90 ABCG2 (0.34) ABCG2CYP1A1TDP1PAX8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3048654-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2016-07-27 EP disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211454-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed