SCHEMBL413037

SCHEMBL413037

Cc1cccc2c1CCC2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRL1 P41146 3/20 0.40
KCNH2 Q12809 1/20 0.40
HTR2C P28335 6/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
IDO1 P14902 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL598145 0.90 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29659736 0.90 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL22143868 0.82 DRD2 (0.44) HTR2CIDO1
SCHEMBL414118 0.79 KDM4E (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1151092 0.78 ACHE (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1746541 0.78 OPRL1 (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL30997127 0.78 OPRL1 (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL12437186 0.78 ACHE (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1508536 0.78 OPRL1 (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1150672 0.78 ACHE (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US claimed
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US disclosed
US-8876920-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-04 US disclosed
EP-2367908-B1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INT RESEARCH (NL) 2013-02-20 EP disclosed
US-20120101316-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT SHELL OIL COMPANY 2012-04-26 US disclosed
US-20120022304-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL OIL COMPANY (US) 2012-01-26 US disclosed
CN-102307971-A Method for the preparation of a fuel composition for use in gasoline engines and blending component SHELL INT RESEARCH 2012-01-04 CN disclosed
CN-102282239-A Fuel composition for use in gasoline engines 2011-12-14 CN disclosed
CN-102282240-A Fuel composition for gasoline engine 2011-12-14 CN disclosed
EP-2367908-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
EP-2367906-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
EP-2367907-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES Shell Internationale Research Maatschappij B.V. (NL) 2011-09-28 EP disclosed
WO-2010066879-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
WO-2010066876-A1 FUEL COMPOSITION FOR USE IN GASOLINE ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed
WO-2010066881-A1 METHOD FOR THE PREPARATION OF A FUEL COMPOSITION FOR USE IN GASOLINE ENGINES AND BLENDING COMPONENT SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-06-17 WO disclosed