SCHEMBL3394074

SCHEMBL3394074

CCC1=C(C(=O)OC2CCCC2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
ALOX15 P16050 2/20 0.74
MAPK1 P28482 2/20 0.74
HSD17B10 Q99714 2/20 0.74
KIF11 P52732 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
MAPK10 P53779 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ADORA2B P29275 6/20 0.47
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL13426240 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL13425440 0.99 ALDH1A1 (0.76) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL13425539 0.86 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL3394451 0.85 KIF11 (0.64) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL13425966 0.85 KIF11 (0.62) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL3398042 0.85 KIF11 (0.62) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL13426215 0.85 KIF11 (0.62) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL3394168 0.84 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL3394170 0.84 ALDH1A1 (0.55) ALDH1A1ALOX15MAPK1HSD17B10KIF11
SCHEMBL3399229 0.83 KIF11 (0.60) ALDH1A1ALOX15MAPK1HSD17B10KIF11

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