SCHEMBL19658287

SCHEMBL19658287

CCC(=O)CCN1CCN(CCC(=O)CC)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
PAOX Q6QHF9 1/20 0.41
PKM P14618 1/20 0.40
GLA P06280 1/20 0.39
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13529059 1.00
SCHEMBL7293300 0.93 PAOX (0.50) MAPTPOLBALDH1A1TDP1L3MBTL1
SCHEMBL9290140 0.91 ALDH1A1 (0.68) MAPTPOLBALDH1A1L3MBTL1HTT
SCHEMBL805515 0.89 ALDH1A1 (0.72) MAPTPOLBALDH1A1L3MBTL1HTT
SCHEMBL25066673 0.86 ALDH1A1 (0.42) MAPTPOLBALDH1A1PAOXSMN1; SMN2
SCHEMBL22414126 0.86 MAPT (0.42) MAPTPOLBALDH1A1L3MBTL1PAOX
SCHEMBL21100445 0.86 MAPT (0.42) MAPTPOLBALDH1A1TDP1L3MBTL1
SCHEMBL14002787 0.85 GLA (0.60) MAPTPOLBALDH1A1PAOXGLA
SCHEMBL27888690 0.83 POLB (0.58) MAPTPOLBALDH1A1L3MBTL1PKM
Hydrochloric Acid SCHEMBL28044317 0.78 ALDH1A1 (0.58) MAPTPOLBALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed