SCHEMBL3175674

SCHEMBL3175674

O=C(O)C1CCC2CCCCN2C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL3 Q96JM7 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
KDM2B Q8NHM5 3/20 0.40
HPGD P15428 1/20 0.38

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
Hydrochloric Acid SCHEMBL3371779 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL22539760 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAPOLBKDM2B
SCHEMBL16695584 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAPOLBKDM2B
SCHEMBL22539789 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL10859973 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL19617393 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL13291085 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL3
SCHEMBL3273617 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL3
SCHEMBL3273616 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL3
SCHEMBL8297279 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817109-B1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-7648636-B2 A chromatographic support including an immobilized ligand which combines an anion-exchange domain comprising an oligocyclic aza compound with endocyclic nitrogen and a non-ionic, second binding domain to allow adjustment of the overall hydrophobicity/hydrophilicity; separation; purification; peptides MERCK PATENT GMBH (DE) 2010-01-19 US disclosed
US-20080164211-A1 Mixed-Modal Anion-Exchanged Type Separation Material MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
EP-1817109-A1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL Merck Patent GmbH (DE) 2007-08-15 EP disclosed
WO-2006058623-A1 MIXED-MODAL ANION-EXCHANGE TYPE SEPARATION MATERIAL MERCK PATENT GMBH (DE) 2006-06-08 WO disclosed
US-4971958-A CALCIUM METABOLISM BOEHRINGER MANNHEIM GMBH (DE) 1990-11-20 US disclosed