SCHEMBL8501353

SCHEMBL8501353

O=C1C=CC(=O)N1NCCCCCCOO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.36
FAAH O00519 3/20 0.36
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
PTGS1 P23219 7/20 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
SCHEMBL10800016 0.84 MGLL (0.48) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL27314504 0.77 MGLL (0.42) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL28035741 0.76 MGLL (0.57) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL27921301 0.76 MGLL (0.57) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL20360089 0.76 MGLL (0.57) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL27903571 0.76 MGLL (0.57) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL1832992 0.75 PTGS1 (0.61) ALDH1A1LMNAMAPK1PTGS1PTGS2
Hydrochloric Acid SCHEMBL3402334 0.74 MGLL (0.55) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL27315404 0.74 PTGS1 (0.42) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL27489696 0.71 MGLL (0.41) MGLLFAAHHSP90AA1TLR9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772616-B1 HYDROPHILIC METAL COMPLEXES ROCHE DIAGNOSTICS GMBH (DE) 1999-12-15 EP disclosed
US-5981286-A USED AS LUMINESCENT MARKER GROUPS IN IMMUNOASSAYS; A LANTHANIDE OR TRANSITIONAL METAL COMPLEX CONTAINING ATLEAST TWO NITROGEN CONTAINING HETEROCYCLIC LIGAND ATTACHED TO METAL VIA NITROGEN ATOM, A REACTIVE GROUP, A HYDROPHILIC GROUP ROCHE DIAGNOSTICS, GMBH (DE) 1999-11-09 US disclosed
EP-0772616-A1 HYDROPHILIC METAL COMPLEXES Roche Diagnostics GmbH (DE) 1997-05-14 EP disclosed
WO-1996003410-A1 HYDROPHILIC METAL COMPLEXES BOEHRINGER MANNHEIM GMBH (DE) 1996-02-08 WO disclosed