SCHEMBL4579172

SCHEMBL4579172

C=CC(C)=O.C=CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
RECQL P46063 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.36
HTT P42858 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.34
ALOX12 P18054 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL27450 0.82
Hydrochloric Acid SCHEMBL7460702 0.79 MGLL (0.35) ALDH1A1RECQLCA12MAPTL3MBTL1
SCHEMBL11732942 0.79
SCHEMBL11732921 0.79
SCHEMBL17010360 0.72 MAPT (0.49) ALDH1A1SMN1; SMN2RECQLMEN1KMT2A
Acetic Acid SCHEMBL29145902 0.69 FFAR3 (0.35) ALDH1A1LMNAHPGD
Acetic Acid SCHEMBL8025571 0.69 FFAR3 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL29070247 0.68 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2RECQLMEN1KMT2A
SCHEMBL14964 0.68
SCHEMBL5145577 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702216-B1 PHOSPHOR PARTICLE CODED BEADS LIFE TECHNOLOGIES CORP (US) 2015-11-04 EP disclosed
US-7323696-B2 Phosphor particle coded beads APPLERA CORPORATION (US) 2008-01-29 US disclosed
EP-1702216-A2 PHOSPHOR PARTICLE CODED BEADS Applera Corporation (US) 2006-09-20 EP disclosed
US-20050208543-A1 Phosphor particle coded beads APPLIED BIOSYSTEMS, LLC 2005-09-22 US disclosed
WO-2005071412-A2 PHOSPHOR PARTICLE CODED BEADS APPLERA CORPORATION (US) 2005-08-04 WO disclosed