SCHEMBL5594915

SCHEMBL5594915

CCCCCCCCC=CC(=O)NCCC[N+](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.51
CNR2 P34972 4/20 0.51
ZDHHC20 Q5W0Z9 2/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
EPHX2 P34913 4/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
PSMB11 A5LHX3 1/20 0.45
PSMA7 O14818 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMA1 P25786 1/20 0.45
PSMA2 P25787 1/20 0.45
PSMA3 P25788 1/20 0.45
PSMA4 P25789 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMA5 P28066 1/20 0.45
PSMB4 P28070 1/20 0.45
PSMB6 P28072 1/20 0.45
PSMB5 P28074 1/20 0.45

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
SCHEMBL1501783 0.89 CNR1 (0.48) CNR1CNR2ZDHHC20EPHX2
SCHEMBL25177512 0.89 CNR1 (0.48) CNR1CNR2ZDHHC20EPHX2
SCHEMBL10016644 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL10016656 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL10016663 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL3614630 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL10016295 0.87 CNR1 (0.58) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL2089328 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL10454080 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2
SCHEMBL18428385 0.87 ZDHHC20 (0.59) CNR1CNR2ZDHHC20ZDHHC2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819777-A1 PHYLLOSILICATE-CONTAINING POLYSILOXANE COMPOSITIONS GE Bayer Silicones GmbH & Co. KG (DE) 2007-08-22 EP disclosed
EP-1706443-A1 ALKOXY- AND HYDROXYL GROUP-FREE AMINO AND/OR AMMONIUM POLYSILOXANE GE Bayer Silicones GmbH & Co. KG (DE) 2006-10-04 EP disclosed
EP-1625180-B1 POLYORGANOSILOXANE COMPOSITIONS FOR THE TREATMENT OF SUBSTRATES GE BAYER SILICONES GMBH & CO (DE) 2006-09-20 EP disclosed
EP-1625180-A1 POLYORGANOSILOXANE COMPOSITIONS FOR THE TREATMENT OF SUBSTRATES GE Bayer Silicones GmbH & Co. KG (DE) 2006-02-15 EP disclosed
WO-2006005767-A1 PHYLLOSILICATE-CONTAINING POLYSILOXANE COMPOSITIONS GE BAYER SILICONES GMBH & CO. KG (DE) 2006-01-19 WO disclosed
EP-1560973-A2 FORMULATIONS USED FOR THE TREATMENT OF SUBSTRATE SURFACES GE Bayer Silicones GmbH & Co. KG (DE) 2005-08-10 EP disclosed
WO-2005063855-A1 ALKOXY- AND HYDROXYL GROUP-FREE AMINO AND/OR AMMONIUM POLYSILOXANE GE BAYER SILICONES GMBH & CO. KG (DE) 2005-07-14 WO disclosed
WO-2004101684-A1 POLYORGANOSILOXANE COMPOSITIONS FOR THE TREATMENT OF SUBSTRATES GE BAYER SILICONES GMBH & CO. KG (DE) 2004-11-25 WO disclosed
WO-2004046452-A2 FORMULATIONS USED FOR THE TREATMENT OF SUBSTRATE SURFACES GE BAYER SILICONES GMBH & CO. KG (DE) 2004-06-03 WO disclosed