SCHEMBL12986958

SCHEMBL12986958

COC(=O)C1CCCCC1CNc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
HPGD P15428 2/20 0.49
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
APP P05067 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
DCTPP1 Q9H773 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL11893762 0.81 MAPT (0.51) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL11893761 0.81 MAPT (0.51) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL2793954 0.76 SMN1; SMN2 (0.51) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL21315673 0.75 MAPT (0.53) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL29961819 0.75 MAPT (0.53) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL16407597 0.75 MAPT (0.64) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL21315684 0.74 MAPT (0.54) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL29961789 0.74 MAPT (0.54) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL21315660 0.73 MAPT (0.52) ALDH1A1MAPTHPGDAKR1C3AKR1C2
SCHEMBL4305240 0.73 SMN1; SMN2 (0.58) ALDH1A1MAPTHPGDAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694482-A1 WNT PATHWAY ANTAGONISTS Siena Biotech S.p.A. (IT) 2014-02-12 EP disclosed
WO-2012136492-A1 WNT PATHWAY ANTAGONISTS SIENA BIOTECH S.P.A. (IT) 2012-10-11 WO disclosed