SCHEMBL5608616

SCHEMBL5608616

C=CCC[C]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.37
APP P05067 1/20 0.36
TSHR P16473 3/20 0.33
IDH1 O75874 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
THPO P40225 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
ACHE P22303 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6352908 0.87 ALDH1A1 (0.36) MAPTALDH1A1APPTSHRIDH1
SCHEMBL443835 0.76 MAPT (0.40) MAPTALDH1A1APPTSHRCYP2C19
SCHEMBL29189704 0.71 CYP1A2 (0.45) MAPTALDH1A1APPTSHRCYP2C19
SCHEMBL98189 0.69 APP (0.41) APPTSHRCYP2C19CYP1A2CYP3A4
SCHEMBL30784939 0.67 FFAR1 (0.53) MAPTAPP
SCHEMBL27661988 0.66 ALDH1A1 (0.56) ALDH1A1TSHRCYP1A2CYP3A4KMT2A
SCHEMBL95799 0.65 LTA4H (0.42) ALDH1A1APPCYP3A4SMN1; SMN2KMT2A
Naphthalene SCHEMBL23527405 0.64 ALOX12 (0.50) MAPTALDH1A1TSHRIDH1CYP3A4
Allylanisole SCHEMBL4737421 0.64 KCNA3 (0.58) ALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL9862807 0.64 ALDH1A1 (0.34) MAPTALDH1A1TSHRIDH1CYP2C19

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
EP-1778749-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING Chevron Phillips Chemical Company LP (US) 2007-05-02 EP disclosed
WO-2006004709-A2 POLYMERIZATION CATALYSTS FOR PRODUCING POLYMERS WITH LOW LEVELS OF LONG CHAIN BRANCHING CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2006-01-12 WO disclosed
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