SCHEMBL1679233

SCHEMBL1679233

C=CC(=O)NCCCCCCCCC=CC(=O)Oc1ccc([S+](C)C)cc1.COS(=O)(=O)[O-]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 2/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.36
TGM2 P21980 1/20 0.35
EPHX2 P34913 2/20 0.32
MGLL Q99685 2/20 0.32
HDAC3 O15379 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL6511218 0.85 ZDHHC2 (0.38) ZDHHC2ZDHHC20TGM2EPHX2MGLL
SCHEMBL9487568 0.76 THRB (0.44) TGM2NPC1RAB9A
SCHEMBL7901795 0.75 ALDH1A1 (0.45)
SCHEMBL6514850 0.71 KMT2A (0.36) EPHX2MGLLNPC1RAB9A
SCHEMBL9487566 0.70 THRB (0.45) TGM2RAB9A
SCHEMBL11097209 0.68 CNR1 (0.47) ZDHHC2CNR1CNR2EPHX2
SCHEMBL9646952 0.67 MAPT (0.54) PTGS2
SCHEMBL9407113 0.66 KMT2A (0.48) NPC1RAB9A
SCHEMBL10521222 0.66 KMT2A (0.48) NPC1RAB9A
SCHEMBL28662763 0.66 ZDHHC20 (0.47) ZDHHC2ZDHHC20TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461619-B1 IMPROVED STRUCTURED-FUNCTIONAL BONDING MATRICES FOR BIOMOLECULES FRAUNHOFER GES FORSCHUNG (DE) 2011-04-27 EP disclosed
EP-1299426-B1 IMPROVED MICROGELS AND FILMS FRAUNHOFER GES FORSCHUNG (DE) 2009-04-08 EP disclosed
US-7368295-B2 Nanoparticles comprising biologically active TNF which is immobilized on the same FRAUNHOFER-GESELLSCHAFT ZUR FODERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2008-05-06 US disclosed
US-20050048570-A1 Structured-functional bonding matrices for biomolecules FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN 2005-03-03 US disclosed
US-20040265392-A1 Nanoparticles comprising biologically active tnf which is immobilized on the same FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2004-12-30 US disclosed
EP-1461619-A2 IMPROVED STRUCTURED-FUNCTIONAL BONDING MATRICES FOR BIOMOLECULES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2004-09-29 EP disclosed
WO-2003056336-A2 IMPROVED STRUCTURED-FUNCTIONAL BONDING MATRICES FOR BIOMOLECULES Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2003-07-10 WO disclosed