SCHEMBL3399229

SCHEMBL3399229

CCC1=C(C(=O)OCCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.60
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE1C Q14123 2/20 0.49
POLB P06746 2/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ADORA2B P29275 1/20 0.45
PKM P14618 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
SCHEMBL13426215 0.90 KIF11 (0.62) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL3398042 0.90 KIF11 (0.62) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL13425966 0.90 KIF11 (0.62) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL3394451 0.89 KIF11 (0.64) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL13425539 0.88 ALDH1A1 (0.58) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL3397125 0.85 KIF11 (0.58) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL13425440 0.84 ALDH1A1 (0.76) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL13425487 0.83 KIF11 (0.59) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL13426240 0.83 ALDH1A1 (0.74) KIF11ALDH1A1HSD17B10ALOX15MAPK1
SCHEMBL3394074 0.83 ALDH1A1 (0.74) KIF11ALDH1A1HSD17B10ALOX15MAPK1

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