SCHEMBL582269

SCHEMBL582269

CC(C)(C)c1ccc(N)cc1.CC(C)CCc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.51
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46
GFER P55789 1/20 0.45
GRIA4 P48058 1/20 0.44
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
EPHX1 P07099 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2408286 0.87 GFER (0.59) ALDH1A1GFERTSHRTDP1MAOA
SCHEMBL582268 0.81 KCNH2 (0.42) ESRRGGRIA4KCNH2TP53TSHR
SCHEMBL3090240 0.81 GRIA4 (0.46) ESRRGGRIA4KCNH2TP53TSHR
SCHEMBL6948447 0.79 KCNH2 (0.55) ESRRGGRIA4KCNH2TP53TSHR
SCHEMBL6940712 0.76 GRIA4 (0.45) ESRRGGRIA4KCNH2TP53TSHR
SCHEMBL6948293 0.76 GRIA4 (0.45) ESRRGGRIA4KCNH2TP53TSHR
SCHEMBL8080450 0.76 HTT (0.41) GFERTSHR
SCHEMBL33319 0.76 RAB9A (0.73) ESRRGALDH1A1MAPTNPC1HPGD
SCHEMBL5674493 0.76 ESRRG (0.52) ESRRGALDH1A1MAPTNPC1HPGD
SCHEMBL1660004 0.76 GRIA4 (0.47) ESRRGGRIA4KCNH2TP53TSHR

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
EP-2417230-B1 UNLEADED AVIATION GASOLINE EXXONMOBIL RES & ENG CO (US) 2016-05-11 EP disclosed
EP-2417230-A1 UNLEADED AVIATION GASOLINE ExxonMobil Research and Engineering Company (US) 2012-02-15 EP disclosed
US-20100263262-A1 Unleaded aviation gasoline EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-10-21 US disclosed
WO-2010118408-A1 UNLEADED AVIATION GASOLINE EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) 2010-10-14 WO disclosed