SCHEMBL7591237

SCHEMBL7591237

O=[N+]([O-])OCCCCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
IDO1 P14902 1/20 0.44
FFAR1 O14842 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL600669 1.00 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL17966102 1.00 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL17966112 1.00 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL6752122 0.98 IDO1 (0.46) CA12CA1CA2CA4CA9
SCHEMBL8957396 0.93 IDO1 (0.52) CA12CA1CA2CA4CA9
SCHEMBL1491311 0.85 CA1 (0.46) CA12CA1CA2CA9IDO1
SCHEMBL4610926 0.76 DRD2 (0.61) MAPTFFAR1
SCHEMBL25180667 0.76 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL324868 0.76 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL11743463 0.76 MAPT (0.50) CA2MAPTRXFP1SIGMAR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017480-B1 METHOD FOR SEPARATING ACTINIDES AND LANTHANIDES BY MEMBRANE TRANSPORT USING A CALIXARENE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2002-10-23 EP claimed
EP-0807117-B1 CALIXARENE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR REMOVING ACTINIDES AND LANTHANIDES COMMISSARIAT ENERGIE ATOMIQUE (FR) 1999-12-01 EP disclosed
EP-0807117-A1 CALIXARENE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR REMOVING ACTINIDES AND LANTHANIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1997-11-19 EP disclosed
WO-1996023800-A1 CALIXARENE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR REMOVING ACTINIDES AND LANTHANIDES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1996-08-08 WO disclosed
WO-1995017409-A1 DIPHOSPHINE DIOXIDES FOR REMOVING ACTINIDES AND PHOSPHONIUM DISALTS FOR PREPARING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1995-06-29 WO disclosed