SCHEMBL5600936

SCHEMBL5600936

CCCCCc1ccc2c(c1CCCCC)[N]c1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.37
LIPG Q9Y5X9 1/20 0.36
CYP1A1 P04798 1/20 0.35
TYR P14679 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5603187 0.99 LIPG (0.38) TLR8LIPGCYP1A1TYRCYP3A4
SCHEMBL5601818 0.96 TLR8 (0.35) TLR8LIPGCYP1A1TYRCYP3A4
SCHEMBL5602904 0.87 CYP1A1 (0.36) TLR8CYP1A1MEN1KMT2AKDM4E
SCHEMBL5600040 0.87 KDM4E (0.33) KDM4EALDH1A1GAAHPGD
SCHEMBL5601327 0.87 LIPG (0.41) TLR8LIPGALOX5CYSLTR2CYSLTR1
SCHEMBL5603940 0.86 CYP1A1 (0.38) TLR8CYP1A1KDM4EALDH1A1HPGD
SCHEMBL5600729 0.86 CYP1A1 (0.38) TLR8CYP1A1KDM4EALDH1A1HPGD
SCHEMBL5601549 0.86 CYP1A1 (0.38) TLR8CYP1A1KDM4EALDH1A1HPGD
SCHEMBL5603212 0.86 CYP1A1 (0.38) TLR8CYP1A1KDM4EALDH1A1HPGD
SCHEMBL5599911 0.86 CYP1A1 (0.38) TLR8CYP1A1KDM4EALDH1A1HPGD

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