SCHEMBL3399537

SCHEMBL3399537

Cc1ccc(OCCC(C)C(N)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
WDR5 P61964 1/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL24418950 0.84 L3MBTL1 (0.50) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL3400711 0.83 TDP1 (0.47) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL9479987 0.82 TDP1 (0.53) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL10698935 0.82 L3MBTL1 (0.52) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL14959985 0.82 L3MBTL1 (0.52) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL3396860 0.80 MEN1 (0.48) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL2926534 0.77 TDP1 (0.68) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL3400186 0.77 MEN1 (0.48) TDP1MEN1KMT2AL3MBTL1DRD2
SCHEMBL23711162 0.75 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1DRD2DRD4
SCHEMBL7804270 0.75 MEN1 (0.53) MEN1KMT2AL3MBTL1DRD2DRD4

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-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed