SCHEMBL8724844

SCHEMBL8724844

C[n+]1cccc(C(=O)OC(=O)c2ccc[n+](C)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.63
USP2 O75604 1/20 0.63
APOBEC3A P31941 3/20 0.51
APOBEC3G Q9HC16 3/20 0.51
LMNA P02545 3/20 0.46
BCHE P06276 3/20 0.46
GLA P06280 3/20 0.46
ACHE P22303 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PABPC1 P11940 1/20 0.46
HDAC8 Q9BY41 4/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
Iodide SCHEMBL8724842 0.98 NNMT (0.61) NNMTUSP2APOBEC3AAPOBEC3GLMNA
SCHEMBL3841152 0.86 NNMT (0.61) NNMTUSP2APOBEC3AAPOBEC3GLMNA
Iodide SCHEMBL4512602 0.85 NNMT (0.59) NNMTUSP2APOBEC3AAPOBEC3GLMNA
SCHEMBL10307402 0.82 GLA (0.58) NNMTUSP2APOBEC3AAPOBEC3GLMNA
SCHEMBL14067665 0.80 NNMT (0.54) NNMTUSP2APOBEC3AAPOBEC3GLMNA
Trigonelline SCHEMBL29581532 0.79 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GLMNA
Trigonelline SCHEMBL679317 0.79 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GLMNA
SCHEMBL700182 0.79 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GLMNA
Hydrochloric Acid SCHEMBL9626217 0.79 NNMT (0.53) NNMTUSP2APOBEC3AAPOBEC3GLMNA
SCHEMBL13077452 0.78 NNMT (0.61) NNMTUSP2APOBEC3AAPOBEC3GLMNA

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-0335545-B2 Pharmaceutical formulations for parenteral use UNIV FLORIDA (US) 1998-09-23 EP disclosed
EP-0327766-B1 Redox systems for brain-targeted drug delivery UNIV FLORIDA (US) 1998-04-08 EP disclosed
US-5024998-A Administering in aqueous solution with cyclodextrin derivative UNIVERSITY OF FLORIDA (US) 1991-06-18 US disclosed
US-5017566-A Redox systems for brain-targeted drug delivery UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed
US-5002935-A Inclusion Complexing Hydroxypropylcyclodextrin with a Dihydropyridine-substituted Drug UNIVERSITY OF FLORIDA (US) 1991-03-26 US disclosed
US-4983586-A Decreasing precipitation at injection site or in lungs or other organs by combining with hydroxypropyl-beta-cyclodextrin UNIVERSITY OF FLORIDA (US) 1991-01-08 US disclosed
EP-0335545-A2 Pharmaceutical formulations for parenteral use UNIVERSITY OF FLORIDA (US) 1989-10-04 EP disclosed