SCHEMBL6352908

SCHEMBL6352908

C=CCCC[C]c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
APP P05067 1/20 0.33
TLR8 Q9NR97 1/20 0.33
LMNA P02545 1/20 0.32
IDH1 O75874 1/20 0.32
TSHR P16473 3/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 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
SCHEMBL5608616 0.87 MAPT (0.38) ALDH1A1MAPTL3MBTL1APPIDH1
SCHEMBL29189704 0.80 CYP1A2 (0.45) ALDH1A1MAPTUSP2HPGDAPP
SCHEMBL443835 0.73 MAPT (0.40) ALDH1A1MAPTAPPTSHRMMP1
SCHEMBL95799 0.71 LTA4H (0.42) ALDH1A1APPLMNACYP3A4
SCHEMBL95929 0.70 LTA4H (0.42) ALDH1A1LMNATSHRCYP3A4
SCHEMBL4732470 0.68 DNM1 (0.44) ALDH1A1LMNATSHRCYP3A4
SCHEMBL7980722 0.68 ALDH1A1 (0.62) ALDH1A1L3MBTL1
SCHEMBL7194368 0.68 DNM1 (0.44) ALDH1A1LMNATSHRCYP3A4
Benzene SCHEMBL28134111 0.68 TSHR (0.53) ALDH1A1MAPTL3MBTL1TDP1USP2
SCHEMBL27434469 0.67 FFAR1 (0.53) ALDH1A1MAPTTDP1USP2HPGD

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-20050288461-A1 Polymerization catalysts for producing polymers with low levels of long chain branching CHEVRON PHILLIPS CHEMICAL COMPANY, L.P. 2005-12-29 US disclosed