SCHEMBL5601943

SCHEMBL5601943

CCCCCC1=N[N]c2cccc(CCCCC)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
LIPG Q9Y5X9 1/20 0.40
KCNH2 Q12809 1/20 0.40
TYR P14679 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
TLR8 Q9NR97 6/20 0.36
ELANE P08246 2/20 0.36
CTSG P08311 2/20 0.36

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
SCHEMBL5602033 0.98 LIPG (0.42) ALOX5PTGS2LIPGKCNH2TYR
SCHEMBL5602247 0.95 ALOX5 (0.37) ALOX5PTGS2LIPGKCNH2TYR
SCHEMBL5601651 0.85 GABRA1 (0.32) ELANECTSG
SCHEMBL5603673 0.84 KCNH2 (0.40) ALOX5PTGS2KCNH2TYRTLR8
SCHEMBL5602752 0.83 KCNH2 (0.42) ALOX5KCNH2TYRTLR8
SCHEMBL5599913 0.83 KCNH2 (0.42) ALOX5KCNH2TYRTLR8
SCHEMBL5599722 0.83 KCNH2 (0.42) ALOX5KCNH2TYRTLR8
SCHEMBL5600740 0.83 KCNH2 (0.42) ALOX5KCNH2TYRTLR8
SCHEMBL5601247 0.83 KCNH2 (0.42) ALOX5KCNH2TYRTLR8
SCHEMBL5601849 0.83 KCNH2 (0.42) ALOX5KCNH2TYRTLR8

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