SCHEMBL3397125

SCHEMBL3397125

CCC1=C(C(=O)OCCN2CCCCC2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.58
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 3/20 0.52
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 1/20 0.47
ADORA2B P29275 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL13425487 0.99 KIF11 (0.59) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL3395927 0.86 KIF11 (0.57) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL3395924 0.86 KIF11 (0.57) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL3399229 0.85 KIF11 (0.60) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL13425539 0.84 ALDH1A1 (0.58) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL13426215 0.82 KIF11 (0.62) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL13425966 0.82 KIF11 (0.62) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL13426223 0.82 KIF11 (0.60) KIF11ALDH1A1SMN1; SMN2GAAPOLB
SCHEMBL3398042 0.82 KIF11 (0.62) KIF11ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL13426241 0.82 KIF11 (0.60) KIF11ALDH1A1SMN1; SMN2GAAPOLB

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed