SCHEMBL7047580

SCHEMBL7047580

CCCCc1ccc(C(c2ccc(C(C)(C)C)cc2)=c2c(C)ccc3c2=[C]c2cc(C)ccc2-3)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RARB P10826 1/20 0.34
PLK1 P53350 8/20 0.34
PLK3 Q9H4B4 2/20 0.34
ESRRG P62508 3/20 0.33
NR1H4 Q96RI1 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.32
ESRRB O95718 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
SCHEMBL6904290 0.83 PLK1 (0.34) RARBPLK1ESRRGNR1H4KCNH2
SCHEMBL7042952 0.74 NPC1 (0.31) NPC1RAB9ATP53POLBNFKB1
SCHEMBL6904432 0.74 TRPV1 (0.37) NPC1RAB9ARARBPLK1ESRRG
SCHEMBL6905034 0.69 ESRRG (0.30) ESRRG
SCHEMBL547838 0.67 KCNH2 (0.60) NPC1RAB9ATP53SMN1; SMN2PLK1
SCHEMBL6550678 0.64 PLK1 (0.40) RARBPLK1ESRRGNR1H4KCNH2
SCHEMBL15685935 0.63 CNR2 (0.53) CNR2NPC1RAB9ARARBPLK1
SCHEMBL9711161 0.63 ESR1 (0.63) TP53ESRRGKCNH2ESRRB
SCHEMBL8776979 0.63 KCNH2 (0.63) TP53KCNH2
SCHEMBL28534367 0.61 KCNH2 (0.61) TP53KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296991-B1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2013-05-15 EP disclosed
EP-1296991-A1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2003-04-02 EP disclosed
EP-1297027-A1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Patents Inc. (US) 2003-04-02 EP disclosed
WO-2002000738-A1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-01-03 WO disclosed
WO-2002000666-A1 SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-01-03 WO disclosed