SCHEMBL6904290

SCHEMBL6904290

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.34
RARB P10826 3/20 0.33
ESRRG P62508 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TNNC1 P63316 5/20 0.31
S1PR1 P21453 2/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
KCNH2 Q12809 1/20 0.30
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL7047580 0.83 CNR1 (0.36) PLK1RARBESRRGNR1H4KCNH2
SCHEMBL6905034 0.81 ESRRG (0.30) ESRRG
SCHEMBL6904432 0.73 TRPV1 (0.37) PLK1RARBESRRGTRPV1THRA
SCHEMBL547838 0.65 KCNH2 (0.60) PLK1ESRRGKDM4EKCNH2
SCHEMBL7599381 0.64 NPC1 (0.33)
SCHEMBL6550678 0.63 PLK1 (0.40) PLK1RARBESRRGTRPV1THRA
SCHEMBL9711161 0.62 ESR1 (0.63) ESRRGKDM4EKCNH2
SCHEMBL15685933 0.61 CNR2 (0.54) PLK1RARBESRRGTRPV1THRA
SCHEMBL8776979 0.61 KCNH2 (0.63) TRPV1KDM4ETNNC1S1PR1SGPL1
SCHEMBL5166701 0.61 NPC1 (0.56) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806220-B2 COORDINATION CATALYST FOR POLYOLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-19 US claimed