SCHEMBL3391291

SCHEMBL3391291

CCC1=C(C(=O)OCc2ccccc2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.63
PKM P14618 1/20 0.62
GAA P10253 2/20 0.57
MAPK10 P53779 1/20 0.57
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
ADORA2B P29275 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL13426223 0.91 KIF11 (0.60) KIF11PKMGAAMAPK10ALDH1A1
SCHEMBL13426241 0.91 KIF11 (0.60) KIF11PKMGAAMAPK10ALDH1A1
SCHEMBL3397866 0.87 PKM (0.80) KIF11PKMGAAMAPK10TSHR
SCHEMBL3396249 0.86 KIF11 (0.59) KIF11ALDH1A1
SCHEMBL3394451 0.83 KIF11 (0.64) KIF11GAAADORA2BALDH1A1
SCHEMBL16320828 0.83 RXFP1 (0.62)
SCHEMBL13426160 0.83 TP53 (0.74) KIF11PKMGAATSHRKDM4E
SCHEMBL3435307 0.83 KIF11 (0.76) KIF11GAAALDH1A1
SCHEMBL13426215 0.82 KIF11 (0.62) KIF11GAAADORA2BALDH1A1
SCHEMBL13425966 0.82 KIF11 (0.62) KIF11GAAADORA2BALDH1A1

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