SCHEMBL3698644

SCHEMBL3698644

CC(C)c1cc(C(C)C)cc(C(c2ccc(Cl)cc2)c2cc(C(C)C)cc(C(C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
ADRB2 P07550 1/20 0.48
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TYR P14679 1/20 0.37
CYP2A6 P11509 1/20 0.36
BRD4 O60885 1/20 0.36
IDH1 O75874 1/20 0.36
FFAR2 O15552 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL197810 0.83 ADRB2 (0.65) CYP19A1ADRB2TSHRMAPK1HIF1A
SCHEMBL30720007 0.80 ADRB2 (0.62) CYP19A1ADRB2TSHRMAPK1HIF1A
Hydrochloric Acid SCHEMBL28767407 0.80 ADRB2 (0.62) CYP19A1ADRB2TSHRMAPK1HIF1A
SCHEMBL4445207 0.80 ADRB2 (0.62) CYP19A1ADRB2TSHRMAPK1HIF1A
Hydrogen Sulfide SCHEMBL28263778 0.80 ADRB2 (0.62) CYP19A1ADRB2TSHRMAPK1HIF1A
SCHEMBL4088048 0.80 CYP19A1 (0.70) CYP19A1ADRB2TSHRMAPK1HIF1A
SCHEMBL3694310 0.79 ALDH1A1 (0.43) HIF1ATDP1POLBMEN1RAB9A
Hydrogen Peroxide SCHEMBL10348371 0.78 ADRB2 (0.59) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL3689667 0.77 LMNA (0.35) HIF1ALMNATYR
SCHEMBL3696526 0.77 CYP19A1 (0.50) CYP19A1ADRB2TSHRMAPK1HIF1A

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