SCHEMBL6914196

SCHEMBL6914196

C=C(C)C(=O)OC(C)N(CCCCCCCCCC)CCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
LMNA P02545 2/20 0.39
FAAH O00519 5/20 0.36
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
GGPS1 O95749 1/20 0.32

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
SCHEMBL2832316 1.00 TSHR (0.49) TSHRLMNAFAAHMAPTMAPK1
SCHEMBL1323802 1.00 TSHR (0.49) TSHRLMNAFAAHMAPTMAPK1
Iodide SCHEMBL28802516 0.98 TSHR (0.47) TSHRLMNAFAAHMAPTMAPK1
SCHEMBL2496829 0.98 TSHR (0.46) TSHRLMNAFAAHMAPTMAPK1
SCHEMBL222108 0.93 TSHR (0.43) TSHRLMNAFAAHTHRB
Tetradecane SCHEMBL1083463 0.87 TSHR (0.49) TSHRLMNAFAAHMAPTMAPK1
SCHEMBL516498 0.86 TSHR (0.41) TSHRTHRB
SCHEMBL28334362 0.86 TSHR (0.47) TSHRLMNAFAAHMAPTMAPK1
Hydrochloric Acid SCHEMBL28879757 0.84 TSHR (0.46) TSHRLMNAFAAHMAPTMAPK1
Hexadecane SCHEMBL5163752 0.82 TSHR (0.50) TSHRLMNAFAAHMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746711-B2 REACTING A HYDROXYALKYLAMINE COMPOUND WITH METHYL(METH)ACRYLATE IN PRESENCE OF TRANSESTERIFICATION CATALYST WITH REMOVAL OF METHANOL BY-PRODUCT, FREE-RADICAL POLYMERIZING THE PRODUCT, ALKYLATING THE POLYMER CLARIANT GMBH (DE) 2004-06-08 US disclosed
US-20030191264-A1 Reacting a hydroxyalkylamine compound with methyl(meth)acrylate in presence of transesterification catalyst with removal of methanol by-product, free-radical polymerizing the product, alkylating the polymer CLARIANT GMBH 2003-10-09 US disclosed