SCHEMBL3394359

SCHEMBL3394359

CCC1=C(C(=O)c2ccc(C)cc2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GUSB P08236 1/20 0.44
DHFR P00374 1/20 0.44
ADORA2B P29275 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL13426235 0.91 KIF11 (0.56) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13426197 0.91 KIF11 (0.56) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL3395327 0.91 KIF11 (0.54) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13426932 0.91 KIF11 (0.56) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13425577 0.90 KIF11 (0.53) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13425605 0.88 KIF11 (0.53) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13425600 0.80 KIF11 (0.56) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13425508 0.79 KIF11 (0.54) KIF11ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL13425599 0.77 TP53 (0.50) ALDH1A1NPSR1
SCHEMBL13425504 0.77 KIF11 (0.55) KIF11ALDH1A1ALOX15MAPK1HSD17B10

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