SCHEMBL3693641

SCHEMBL3693641

CC(C)c1cc(C#Cc2cc(C(C)C)cc(C(C)C)c2)cc(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.33
LMNA P02545 1/20 0.32
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
ACACB O00763 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
HIF1A Q16665 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
SCHEMBL3157241 0.85 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4
SCHEMBL338867 0.80 GABRA1 (0.46) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3193050 0.78 FABP3 (0.37) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL15345779 0.78 CYP1A1 (0.33) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL6667915 0.78 TTR (0.41) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL16960665 0.78 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL23202783 0.77 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL5790729 0.77 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3234036 0.77 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL23202734 0.77 GABRA1 (0.43) GABRA1GABRB2FABP3FABP4FABP5

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-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