SCHEMBL6231011

SCHEMBL6231011

C=COC(=O)C(C)(C)CCCCCC.C=COC(=O)C(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.45
CA1 P00915 4/20 0.45
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 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
SCHEMBL7051547 0.86 CYP4F2 (0.46) CYP4F2CYP4A11TSHRATML3MBTL1
SCHEMBL19469710 0.86 CYP4F2 (0.46) CYP4F2CYP4A11TSHRATML3MBTL1
SCHEMBL35755 0.86 CYP4F2 (0.46) CYP4F2CYP4A11TSHRATML3MBTL1
SCHEMBL15443401 0.84 CA2 (0.53) CA2CA1MAPK1TSHRMAPT
SCHEMBL15442728 0.84 CA2 (0.53) CA2CA1MAPK1TSHRMAPT
SCHEMBL35266 0.84 CA2 (0.61) CA2CA1MAPK1TSHRATM
SCHEMBL15416699 0.84 CYP4F2 (0.43) CYP4F2CYP4A11TSHRATML3MBTL1
Ethylene SCHEMBL5792695 0.83 CA2 (0.59) CA2CA1MAPK1TSHRATM
SCHEMBL15443024 0.83 CA2 (0.55) CA2CA1MAPK1TSHRATM
Acrylic Acid SCHEMBL14760404 0.80 CYP4F2 (0.41) CYP4F2CYP4A11TSHRATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050126071-A1 Fuel oils composed of middle distillates and oils of vegetable or animal origin and having improved cold flow properties CLARIANT GMBH 2005-06-16 US claimed