SCHEMBL5602369

SCHEMBL5602369

CCCCCCc1ccc2c(c1CCCCCC)C1=C(CCC1)[N]2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.33
LIPG Q9Y5X9 1/20 0.31
CCR5 P51681 2/20 0.31
GCGR P47871 5/20 0.30
TLR8 Q9NR97 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
SCHEMBL5600501 0.99 TYR (0.33) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL5602890 0.88 CCR5 (0.34) MEN1KMT2AKCNH2CCR5GCGR
SCHEMBL5600893 0.88 CCR5 (0.34) MEN1KMT2AKCNH2CCR5GCGR
SCHEMBL5602259 0.88 CCR5 (0.34) MEN1KMT2AKCNH2CCR5GCGR
SCHEMBL5600855 0.88 CCR5 (0.34) MEN1KMT2AKCNH2CCR5GCGR
SCHEMBL5600595 0.88 CCR5 (0.34) MEN1KMT2AKCNH2CCR5GCGR
SCHEMBL5603028 0.88 CCR5 (0.34) MEN1KMT2AKCNH2CCR5GCGR
SCHEMBL5600548 0.86 CCR5 (0.32) MEN1KMT2ACCR5GCGR
SCHEMBL5600920 0.83 LIPG (0.38) ALOX5KCNH2LIPGTLR8
SCHEMBL5603690 0.83 LIPG (0.38) ALOX5KCNH2LIPGTLR8

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed