SCHEMBL4249049

SCHEMBL4249049

CC(=O)CC[n+]1ccn(C)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL717072 0.85 EGLN3 (0.32) MEN1HSP90AA1KMT2ASMN1; SMN2
Bromide SCHEMBL571256 0.83 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29002029 0.83 MEN1 (0.30) MEN1HSP90AA1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29008264 0.83 EGLN3 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL28939162 0.79 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5663703 0.78 MEN1 (0.53) MEN1HSP90AA1KMT2ASMN1; SMN2ALDH1A1
Levulinic Acid SCHEMBL357673 0.78 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL14251749 0.78 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL16857523 0.78 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL35213 0.78 LMNA (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2ALDH1A1

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
US-8202446-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-06-19 US disclosed
US-20090272938-A1 Ionic Liquid Based Mixtures For Gas Storage and Delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-11-05 US disclosed
US-7563308-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-07-21 US disclosed
US-7404845-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-07-29 US disclosed
EP-1640654-A1 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-29 EP disclosed
US-20060060817-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed
US-20060060818-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed