SCHEMBL3690665

SCHEMBL3690665

Cc1cc(C)cc(C(c2ccc(F)cc2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
GAA P10253 1/20 0.43
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
NFE2L2 Q16236 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AOC3 Q16853 1/20 0.33
DAO P14920 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL20868149 0.83 ACHE (0.68) ACHEGAAIDO1TDO2NFE2L2
SCHEMBL2489611 0.80 IDO1 (0.50) ACHEGAAIDO1TDO2ALDH1A1
SCHEMBL4950926 0.80 ALDH1A1 (0.44) ACHEALDH1A1TDP1HPGD
SCHEMBL27955728 0.79 ACHE (0.48) ACHEGAAALDH1A1LMNASMN1; SMN2
SCHEMBL3697491 0.79 ACHE (0.48) ACHEGAAALDH1A1LMNASMN1; SMN2
SCHEMBL3704074 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL3696722 0.77 ESR1 (0.46) ACHEGAAALDH1A1LMNASMN1; SMN2
SCHEMBL3699760 0.77 ACHE (0.31) ACHEALDH1A1
SCHEMBL3696526 0.77 CYP19A1 (0.50) IDO1TDO2FFAR4LMNATDP1
SCHEMBL3689250 0.77 GAA (0.39) ACHEGAAIDO1TDO2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741240-B2 Transition metal compounds for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-06-22 US claimed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP claimed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO claimed
EP-1753773-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-02-21 EP disclosed
WO-2005118605-A1 TRANSITION METAL COMPOUNDS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2005-12-15 WO disclosed